2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C20H21N7O — CID 124674718

IUPAC2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESNc1nc(N[C@H]2CCN(Cc3ccccc3)C2)nc2cc(-c3ccco3)nn12
InChIInChI=1S/C20H21N7O/c21-19-24-20(23-18-11-16(25-27(18)19)17-7-4-10-28-17)22-15-8-9-26(13-15)12-14-5-2-1-3-6-14/h1-7,10-11,15H,8-9,12-13H2,(H3,21,22,23,24)/t15-/m0/s1
InChIKeyQAHYFYXBMSDDOH-HNNXBMFYSA-N
MW375.44 g/mol
LogP2.65
Rot. Bonds5

About 2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 124674718) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID124674718
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESNc1nc(N[C@H]2CCN(Cc3ccccc3)C2)nc2cc(-c3ccco3)nn12
InChIInChI=1S/C20H21N7O/c21-19-24-20(23-18-11-16(25-27(18)19)17-7-4-10-28-17)22-15-8-9-26(13-15)12-14-5-2-1-3-6-14/h1-7,10-11,15H,8-9,12-13H2,(H3,21,22,23,24)/t15-/m0/s1
InChIKeyQAHYFYXBMSDDOH-HNNXBMFYSA-N
XLogP2.65
TPSA97.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine with MolForge

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Related Compounds

7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 69435232
2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 46960471
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113
7-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002420
5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46953383
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
[4-[[(3R)-3-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 92550770
7-(furan-2-yl)-2-piperazin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 69432521
1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56682320
7-(furan-2-yl)-2-(methoxymethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170670
2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
CID 99780455
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 124674718) is 2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is Nc1nc(N[C@H]2CCN(Cc3ccccc3)C2)nc2cc(-c3ccco3)nn12.
What is the InChIKey of 2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is QAHYFYXBMSDDOH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N7O/c21-19-24-20(23-18-11-16(25-27(18)19)17-7-4-10-28-17)22-15-8-9-26(13-15)12-14-5-2-1-3-6-14/h1-7,10-11,15H,8-9,12-13H2,(H3,21,22,23,24)/t15-/m0/s1.
What are the key properties of 2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 375.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 124674718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).