N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H21N7O — CID 164633277

IUPACN-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nccn1C[C@@H](C)CNC(=O)c1nc2n(n1)CCCN2
InChIInChI=1S/C14H21N7O/c1-10(9-20-7-5-15-11(20)2)8-17-13(22)12-18-14-16-4-3-6-21(14)19-12/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,17,22)(H,16,18,19)/t10-/m0/s1
InChIKeyGYPVSTHULUFTFN-JTQLQIEISA-N
MW303.37 g/mol
LogP0.66
Rot. Bonds5

About N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 164633277) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID164633277
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nccn1C[C@@H](C)CNC(=O)c1nc2n(n1)CCCN2
InChIInChI=1S/C14H21N7O/c1-10(9-20-7-5-15-11(20)2)8-17-13(22)12-18-14-16-4-3-6-21(14)19-12/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,17,22)(H,16,18,19)/t10-/m0/s1
InChIKeyGYPVSTHULUFTFN-JTQLQIEISA-N
XLogP0.66
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 164633277) is N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nccn1C[C@@H](C)CNC(=O)c1nc2n(n1)CCCN2.
What is the InChIKey of N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GYPVSTHULUFTFN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N7O/c1-10(9-20-7-5-15-11(20)2)8-17-13(22)12-18-14-16-4-3-6-21(14)19-12/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,17,22)(H,16,18,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 164633277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).