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

C12H17N7O — CID 164639132

IUPACN-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC[C@H](NC(=O)c1nc2n(n1)CCCN2)c1ncc[nH]1
InChIInChI=1S/C12H17N7O/c1-2-8(9-13-5-6-14-9)16-11(20)10-17-12-15-4-3-7-19(12)18-10/h5-6,8H,2-4,7H2,1H3,(H,13,14)(H,16,20)(H,15,17,18)/t8-/m0/s1
InChIKeyLLRWBDRAJKJIKO-QMMMGPOBSA-N
MW275.32 g/mol
LogP0.70
Rot. Bonds4

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

N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 164639132) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID164639132
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC NameN-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC[C@H](NC(=O)c1nc2n(n1)CCCN2)c1ncc[nH]1
InChIInChI=1S/C12H17N7O/c1-2-8(9-13-5-6-14-9)16-11(20)10-17-12-15-4-3-7-19(12)18-10/h5-6,8H,2-4,7H2,1H3,(H,13,14)(H,16,20)(H,15,17,18)/t8-/m0/s1
InChIKeyLLRWBDRAJKJIKO-QMMMGPOBSA-N
XLogP0.70
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 71880820
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 72149987
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72860398
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
1-ethyl-N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide
CID 123455309
1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide
CID 173085375
2-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
CID 174707122
N-[3-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)butyl]-1H-imidazole-2-carboxamide
CID 56739950
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide
CID 56867183
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 61214435
3-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62793528
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62806995

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 164639132) is N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CC[C@H](NC(=O)c1nc2n(n1)CCCN2)c1ncc[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LLRWBDRAJKJIKO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N7O/c1-2-8(9-13-5-6-14-9)16-11(20)10-17-12-15-4-3-7-19(12)18-10/h5-6,8H,2-4,7H2,1H3,(H,13,14)(H,16,20)(H,15,17,18)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 275.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-imidazol-2-yl)propyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 164639132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).