N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H19N5O — CID 98755964

IUPACN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC[C@@H]3C[C@H]4CC[C@H]3C4)nn12
InChIInChI=1S/C15H19N5O/c1-9-4-5-16-15-18-13(19-20(9)15)14(21)17-8-12-7-10-2-3-11(12)6-10/h4-5,10-12H,2-3,6-8H2,1H3,(H,17,21)/t10-,11-,12-/m0/s1
InChIKeySFMSEEQKDOQLCB-SRVKXCTJSA-N
MW285.35 g/mol
LogP1.60
Rot. Bonds3

About N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 98755964) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID98755964
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC[C@@H]3C[C@H]4CC[C@H]3C4)nn12
InChIInChI=1S/C15H19N5O/c1-9-4-5-16-15-18-13(19-20(9)15)14(21)17-8-12-7-10-2-3-11(12)6-10/h4-5,10-12H,2-3,6-8H2,1H3,(H,17,21)/t10-,11-,12-/m0/s1
InChIKeySFMSEEQKDOQLCB-SRVKXCTJSA-N
XLogP1.60
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 98755964) is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NC[C@@H]3C[C@H]4CC[C@H]3C4)nn12.
What is the InChIKey of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SFMSEEQKDOQLCB-SRVKXCTJSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-4-5-16-15-18-13(19-20(9)15)14(21)17-8-12-7-10-2-3-11(12)6-10/h4-5,10-12H,2-3,6-8H2,1H3,(H,17,21)/t10-,11-,12-/m0/s1.
What are the key properties of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 98755964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).