N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C16H24N6O — CID 154746273

IUPACN-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCC(C)n1cc(C(C)(C)NC(=O)C2CCCc3[nH]ncc32)nn1
InChIInChI=1S/C16H24N6O/c1-10(2)22-9-14(20-21-22)16(3,4)18-15(23)11-6-5-7-13-12(11)8-17-19-13/h8-11H,5-7H2,1-4H3,(H,17,19)(H,18,23)
InChIKeyKTXWPJJAMPWUCO-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.05
Rot. Bonds4

About N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 154746273) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID154746273
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCC(C)n1cc(C(C)(C)NC(=O)C2CCCc3[nH]ncc32)nn1
InChIInChI=1S/C16H24N6O/c1-10(2)22-9-14(20-21-22)16(3,4)18-15(23)11-6-5-7-13-12(11)8-17-19-13/h8-11H,5-7H2,1-4H3,(H,17,19)(H,18,23)
InChIKeyKTXWPJJAMPWUCO-UHFFFAOYSA-N
XLogP2.05
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide
CID 166406372
N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 127458146
methyl (2R)-2-(4-fluorophenyl)-3-[[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]amino]propanoate
CID 124624899
piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride
CID 119402457
2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]azepin-3-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 155961845
N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide
CID 97223994
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126766189
(4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 97223986
(4S)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 124576290
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440
(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 99782658

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 154746273) is N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is CC(C)n1cc(C(C)(C)NC(=O)C2CCCc3[nH]ncc32)nn1.
What is the InChIKey of N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is KTXWPJJAMPWUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-10(2)22-9-14(20-21-22)16(3,4)18-15(23)11-6-5-7-13-12(11)8-17-19-13/h8-11H,5-7H2,1-4H3,(H,17,19)(H,18,23).
What are the key properties of N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 154746273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).