N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H19N7O — CID 138000215

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2nc3n(n2)CCCN3)cn1
InChIInChI=1S/C13H19N7O/c1-3-19-9-10(7-15-19)8-18(2)12(21)11-16-13-14-5-4-6-20(13)17-11/h7,9H,3-6,8H2,1-2H3,(H,14,16,17)
InChIKeyGKYZFIDNVYPNPW-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.58
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138000215) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID138000215
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2nc3n(n2)CCCN3)cn1
InChIInChI=1S/C13H19N7O/c1-3-19-9-10(7-15-19)8-18(2)12(21)11-16-13-14-5-4-6-20(13)17-11/h7,9H,3-6,8H2,1-2H3,(H,14,16,17)
InChIKeyGKYZFIDNVYPNPW-UHFFFAOYSA-N
XLogP0.58
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 138000215) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(CN(C)C(=O)c2nc3n(n2)CCCN3)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GKYZFIDNVYPNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-3-19-9-10(7-15-19)8-18(2)12(21)11-16-13-14-5-4-6-20(13)17-11/h7,9H,3-6,8H2,1-2H3,(H,14,16,17).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138000215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).