5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H18N8 — CID 133314337

IUPAC5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2nncn2C(C)C)n2ncnc2n1
InChIInChI=1S/C13H18N8/c1-4-10-5-11(21-13(18-10)15-7-17-21)14-6-12-19-16-8-20(12)9(2)3/h5,7-9,14H,4,6H2,1-3H3
InChIKeyBXFWCFUIWGGIDJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.47
Rot. Bonds5

About 5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133314337) has the molecular formula C13H18N8 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133314337
Molecular FormulaC13H18N8
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2nncn2C(C)C)n2ncnc2n1
InChIInChI=1S/C13H18N8/c1-4-10-5-11(21-13(18-10)15-7-17-21)14-6-12-19-16-8-20(12)9(2)3/h5,7-9,14H,4,6H2,1-3H3
InChIKeyBXFWCFUIWGGIDJ-UHFFFAOYSA-N
XLogP1.47
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154743615
5-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133275891
(2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide
CID 97252623
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133289522
N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433997
propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 133325494
5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 86772190
4-chloro-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]aniline
CID 62695467
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243
3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 56815508

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133314337) is 5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCc2nncn2C(C)C)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BXFWCFUIWGGIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8/c1-4-10-5-11(21-13(18-10)15-7-17-21)14-6-12-19-16-8-20(12)9(2)3/h5,7-9,14H,4,6H2,1-3H3.
What are the key properties of 5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 286.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133314337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).