N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide

C18H23N7O — CID 56723590

IUPACN-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(C2CCN(c3cc(C4CC4)ncn3)CC2)nn1
InChIInChI=1S/C18H23N7O/c26-18(21-13-3-4-13)16-10-25(23-22-16)14-5-7-24(8-6-14)17-9-15(12-1-2-12)19-11-20-17/h9-14H,1-8H2,(H,21,26)
InChIKeyRHMZRLATNFAIPE-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.68
Rot. Bonds5

About N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide

N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 56723590) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID56723590
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC NameN-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(C2CCN(c3cc(C4CC4)ncn3)CC2)nn1
InChIInChI=1S/C18H23N7O/c26-18(21-13-3-4-13)16-10-25(23-22-16)14-5-7-24(8-6-14)17-9-15(12-1-2-12)19-11-20-17/h9-14H,1-8H2,(H,21,26)
InChIKeyRHMZRLATNFAIPE-UHFFFAOYSA-N
XLogP1.68
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-({3-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]piperidin-1-yl}carbonyl)-2,6-dimethylpyrimidine
CID 46983296
N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxamide
CID 56705053
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-isobutyl-1H-1,2,3-triazole-4-carboxamide
CID 56722083
N~2~-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)tetrahydro-1H-pyrrol-3-yl]-2-pyrazinecarboxamide
CID 53192926
N-{5H,6H,7H-Cyclopenta[D]pyrimidin-4-YL}-1-(pyrazine-2-carbonyl)pyrrolidin-3-amine
CID 53192969
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-1-[2-(1-piperidinyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 42194544
N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 95111496
[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124681903
4-isopropyl-2-[4-(1H-1,2,3-triazol-5-ylcarbonyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 118786610
1-methyl-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-1H-1,2,3-triazole-4-carboxamide
CID 121180472
N-[1-(1-methyl-1H-1,2,3-triazole-4-carbonyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889605
N-cyclopropyl-N-[1-(2H-1,2,3-triazole-4-carbonyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890822

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide (CID 56723590) is N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide is O=C(NC1CC1)c1cn(C2CCN(c3cc(C4CC4)ncn3)CC2)nn1.
What is the InChIKey of N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is RHMZRLATNFAIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c26-18(21-13-3-4-13)16-10-25(23-22-16)14-5-7-24(8-6-14)17-9-15(12-1-2-12)19-11-20-17/h9-14H,1-8H2,(H,21,26).
What are the key properties of N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide?
N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 56723590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).