N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H17N5O — CID 47007393

IUPACN-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)CCc2ccco2)n2ncnc2n1
InChIInChI=1S/C14H17N5O/c1-10(5-6-12-4-3-7-20-12)17-13-8-11(2)18-14-15-9-16-19(13)14/h3-4,7-10,17H,5-6H2,1-2H3
InChIKeyYOVIFTCEMWLOBX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.46
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 47007393) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID47007393
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)CCc2ccco2)n2ncnc2n1
InChIInChI=1S/C14H17N5O/c1-10(5-6-12-4-3-7-20-12)17-13-8-11(2)18-14-15-9-16-19(13)14/h3-4,7-10,17H,5-6H2,1-2H3
InChIKeyYOVIFTCEMWLOBX-UHFFFAOYSA-N
XLogP2.46
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61221327
ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
CID 133407087
2-[4-(furan-2-yl)butan-2-ylamino]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47018684
N-[4-(furan-2-yl)butan-2-yl]-2-methylquinolin-4-amine
CID 60716310
N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32678340
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 51855305
N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167524
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191352
2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553533
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 43517144

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 47007393) is N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)CCc2ccco2)n2ncnc2n1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YOVIFTCEMWLOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10(5-6-12-4-3-7-20-12)17-13-8-11(2)18-14-15-9-16-19(13)14/h3-4,7-10,17H,5-6H2,1-2H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 271.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 47007393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).