2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

C20H23N9O — CID 69433496

IUPAC2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCc1cccnc1CN1CCCC1CNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C20H23N9O/c1-13-5-2-8-22-15(13)12-28-9-3-6-14(28)11-23-19-25-18(21)29-20(26-19)24-17(27-29)16-7-4-10-30-16/h2,4-5,7-8,10,14H,3,6,9,11-12H2,1H3,(H3,21,23,24,25,26,27)
InChIKeyCJNJNPQHFYHFEA-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.14
Rot. Bonds6

About 2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 69433496) has the molecular formula C20H23N9O and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID69433496
Molecular FormulaC20H23N9O
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCc1cccnc1CN1CCCC1CNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C20H23N9O/c1-13-5-2-8-22-15(13)12-28-9-3-6-14(28)11-23-19-25-18(21)29-20(26-19)24-17(27-29)16-7-4-10-30-16/h2,4-5,7-8,10,14H,3,6,9,11-12H2,1H3,(H3,21,23,24,25,26,27)
InChIKeyCJNJNPQHFYHFEA-UHFFFAOYSA-N
XLogP2.14
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine with MolForge

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Related Compounds

Preladenant
CID 10117987
CID 9912318
CID 9912318
Mre 3008-F20
CID 5310960
Noberastine
CID 60531
N~5~-{2-[4-(2,4-Difluorophenyl)piperazin-1-Yl]ethyl}-2-(Furan-2-Yl)[1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 44394716
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
CID 9801343
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-4-ylurea;hydrochloride
CID 9887858
5-[[(4-Pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
CID 9887859
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 9929470
5-[[(4-Methoxyphenyl)amino]carbonyl]amino-8-ethyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine
CID 9953799
3-[2-[4-(2,4-Difluorophenyl)piperazin-1-yl]ethyl]-8-(furan-2-yl)-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10161974

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 69433496) is 2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is Cc1cccnc1CN1CCCC1CNc1nc(N)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is CJNJNPQHFYHFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O/c1-13-5-2-8-22-15(13)12-28-9-3-6-14(28)11-23-19-25-18(21)29-20(26-19)24-17(27-29)16-7-4-10-30-16/h2,4-5,7-8,10,14H,3,6,9,11-12H2,1H3,(H3,21,23,24,25,26,27).
What are the key properties of 2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 405.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 69433496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).