N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C20H30N6O2 — CID 56908642

IUPACN,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2ncc(C(=O)N(C)CC3(N4CCCCC4)CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C20H30N6O2/c1-15-22-19-21-13-16(18(28)26(19)23-15)17(27)24(2)14-20(9-5-3-6-10-20)25-11-7-4-8-12-25/h13H,3-12,14H2,1-2H3,(H,21,22,23)
InChIKeyQJWVUAJTGKILDZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.99
Rot. Bonds4

About N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 56908642) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID56908642
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2ncc(C(=O)N(C)CC3(N4CCCCC4)CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C20H30N6O2/c1-15-22-19-21-13-16(18(28)26(19)23-15)17(27)24(2)14-20(9-5-3-6-10-20)25-11-7-4-8-12-25/h13H,3-12,14H2,1-2H3,(H,21,22,23)
InChIKeyQJWVUAJTGKILDZ-UHFFFAOYSA-N
XLogP1.99
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 70709563
2-methyl-6-({2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}carbonyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70746157
N-methyl-7-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 70772271
2-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70782757
2-methyl-6-{[(1R*,5R*)-6-propyl-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 72924757
2-(Dimethylamino)-8-[(2-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 91760118
2-methyl-6-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98321906
2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98321907
2-methyl-6-[(1S,5S)-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 133127805

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 56908642) is N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2ncc(C(=O)N(C)CC3(N4CCCCC4)CCCCC3)c(=O)n2[nH]1.
What is the InChIKey of N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QJWVUAJTGKILDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-15-22-19-21-13-16(18(28)26(19)23-15)17(27)24(2)14-20(9-5-3-6-10-20)25-11-7-4-8-12-25/h13H,3-12,14H2,1-2H3,(H,21,22,23).
What are the key properties of N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 56908642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).