N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide

C13H14N6O2 — CID 31661006

IUPACN-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide
SMILESCc1cc(NCCNC(=O)c2ccco2)n2ncnc2n1
InChIInChI=1S/C13H14N6O2/c1-9-7-11(19-13(18-9)16-8-17-19)14-4-5-15-12(20)10-3-2-6-21-10/h2-3,6-8,14H,4-5H2,1H3,(H,15,20)
InChIKeyBNEIBIQWSSAEHP-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.87
Rot. Bonds5

About N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide

N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide (PubChem CID 31661006) has the molecular formula C13H14N6O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide
PubChem CID31661006
Molecular FormulaC13H14N6O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC NameN-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide
SMILESCc1cc(NCCNC(=O)c2ccco2)n2ncnc2n1
InChIInChI=1S/C13H14N6O2/c1-9-7-11(19-13(18-9)16-8-17-19)14-4-5-15-12(20)10-3-2-6-21-10/h2-3,6-8,14H,4-5H2,1H3,(H,15,20)
InChIKeyBNEIBIQWSSAEHP-UHFFFAOYSA-N
XLogP0.87
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 86974971
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]furan-2-carboxamide
CID 122324472
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191352
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672
N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
CID 80505333
5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039075
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 47007393
5-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79040439
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133354402
5-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 39771868
N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide
CID 46379959
tert-butyl (2R)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-phenylpropanoate
CID 133452948

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide (CID 31661006) is N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide is Cc1cc(NCCNC(=O)c2ccco2)n2ncnc2n1.
What is the InChIKey of N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide?
The InChIKey is BNEIBIQWSSAEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-9-7-11(19-13(18-9)16-8-17-19)14-4-5-15-12(20)10-3-2-6-21-10/h2-3,6-8,14H,4-5H2,1H3,(H,15,20).
What are the key properties of N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide?
N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 31661006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).