3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole

C13H19N5 — CID 131943914

IUPAC3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole
SMILESCCCCn1ncnc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C13H19N5/c1-2-3-8-18-13(14-9-15-18)12-10-6-4-5-7-11(10)16-17-12/h9H,2-8H2,1H3,(H,16,17)
InChIKeySRNLIDISFABBJR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.35
Rot. Bonds4

About 3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole

3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 131943914) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID131943914
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole
SMILESCCCCn1ncnc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C13H19N5/c1-2-3-8-18-13(14-9-15-18)12-10-6-4-5-7-11(10)16-17-12/h9H,2-8H2,1H3,(H,16,17)
InChIKeySRNLIDISFABBJR-UHFFFAOYSA-N
XLogP2.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 123838523
5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine
CID 72930840
3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 156661602
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91828880
3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 117061879
2-butyl-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 66021190
N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline
CID 166272050
4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole
CID 72935137
3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 59820661
3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 168515124
3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 138034571
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 11159621

Frequently Asked Questions

What is the IUPAC name of 3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole (CID 131943914) is 3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole is CCCCn1ncnc1-c1n[nH]c2c1CCCC2.
What is the InChIKey of 3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is SRNLIDISFABBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-3-8-18-13(14-9-15-18)12-10-6-4-5-7-11(10)16-17-12/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of 3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole?
3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 245.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 131943914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).