1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

C16H19N7O — CID 129488606

IUPAC1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@@H]2CCCN(Cc3cccc4cn[nH]c34)C2)n1
InChIInChI=1S/C16H19N7O/c17-15(24)16-18-10-23(21-16)13-5-2-6-22(9-13)8-12-4-1-3-11-7-19-20-14(11)12/h1,3-4,7,10,13H,2,5-6,8-9H2,(H2,17,24)(H,19,20)/t13-/m1/s1
InChIKeyCBBNHKQJGVKUAP-CYBMUJFWSA-N
MW325.38 g/mol
LogP1.09
Rot. Bonds4

About 1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 129488606) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID129488606
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@@H]2CCCN(Cc3cccc4cn[nH]c34)C2)n1
InChIInChI=1S/C16H19N7O/c17-15(24)16-18-10-23(21-16)13-5-2-6-22(9-13)8-12-4-1-3-11-7-19-20-14(11)12/h1,3-4,7,10,13H,2,5-6,8-9H2,(H2,17,24)(H,19,20)/t13-/m1/s1
InChIKeyCBBNHKQJGVKUAP-CYBMUJFWSA-N
XLogP1.09
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490249
[(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 97332173
7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole
CID 120968620
2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid
CID 167919240
(4S)-1-(1H-indazol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 129344375
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122
1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488779
1-[(3S)-1-(2-cyclopropylethylsulfonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488769
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-6-aminobenzoic acid
CID 104824795
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 45249044

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 129488606) is 1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn([C@@H]2CCCN(Cc3cccc4cn[nH]c34)C2)n1.
What is the InChIKey of 1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is CBBNHKQJGVKUAP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N7O/c17-15(24)16-18-10-23(21-16)13-5-2-6-22(9-13)8-12-4-1-3-11-7-19-20-14(11)12/h1,3-4,7,10,13H,2,5-6,8-9H2,(H2,17,24)(H,19,20)/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129488606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).