N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C21H25N5O — CID 60618502

IUPACN-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC(c3ccc(CC(C)C)cc3)C3CC3)nn12
InChIInChI=1S/C21H25N5O/c1-13(2)12-15-4-6-16(7-5-15)18(17-8-9-17)23-20(27)19-24-21-22-11-10-14(3)26(21)25-19/h4-7,10-11,13,17-18H,8-9,12H2,1-3H3,(H,23,27)
InChIKeyDTWMKGURYSJKAM-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.51
Rot. Bonds6

About N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 60618502) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID60618502
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC(c3ccc(CC(C)C)cc3)C3CC3)nn12
InChIInChI=1S/C21H25N5O/c1-13(2)12-15-4-6-16(7-5-15)18(17-8-9-17)23-20(27)19-24-21-22-11-10-14(3)26(21)25-19/h4-7,10-11,13,17-18H,8-9,12H2,1-3H3,(H,23,27)
InChIKeyDTWMKGURYSJKAM-UHFFFAOYSA-N
XLogP3.51
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 60618502) is N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NC(c3ccc(CC(C)C)cc3)C3CC3)nn12.
What is the InChIKey of N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DTWMKGURYSJKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-13(2)12-15-4-6-16(7-5-15)18(17-8-9-17)23-20(27)19-24-21-22-11-10-14(3)26(21)25-19/h4-7,10-11,13,17-18H,8-9,12H2,1-3H3,(H,23,27).
What are the key properties of N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 60618502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).