2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

C13H18N8O — CID 131926964

IUPAC2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESNc1n[nH]c(CCNC(=O)c2nc(N)nc3c2CCCC3)n1
InChIInChI=1S/C13H18N8O/c14-12-17-8-4-2-1-3-7(8)10(19-12)11(22)16-6-5-9-18-13(15)21-20-9/h1-6H2,(H,16,22)(H2,14,17,19)(H3,15,18,20,21)
InChIKeyJJRPFRFIWZHUIH-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.39
Rot. Bonds4

About 2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (PubChem CID 131926964) has the molecular formula C13H18N8O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
PubChem CID131926964
Molecular FormulaC13H18N8O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESNc1n[nH]c(CCNC(=O)c2nc(N)nc3c2CCCC3)n1
InChIInChI=1S/C13H18N8O/c14-12-17-8-4-2-1-3-7(8)10(19-12)11(22)16-6-5-9-18-13(15)21-20-9/h1-6H2,(H,16,22)(H2,14,17,19)(H3,15,18,20,21)
InChIKeyJJRPFRFIWZHUIH-UHFFFAOYSA-N
XLogP-0.39
TPSA148.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide with MolForge

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Related Compounds

2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 77089489
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 118783400
2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131895376
2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 91786293
2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131902997
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 135103602
2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131920115
methyl 2-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 91763287
2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131933975
4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide
CID 72912652
(1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 125441546
2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride
CID 154914605

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (CID 131926964) is 2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is Nc1n[nH]c(CCNC(=O)c2nc(N)nc3c2CCCC3)n1.
What is the InChIKey of 2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The InChIKey is JJRPFRFIWZHUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8O/c14-12-17-8-4-2-1-3-7(8)10(19-12)11(22)16-6-5-9-18-13(15)21-20-9/h1-6H2,(H,16,22)(H2,14,17,19)(H3,15,18,20,21).
What are the key properties of 2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide has a molecular weight of 302.34 g/mol, XLogP of -0.39, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is sourced from PubChem (CID 131926964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).