4-cyclopropyl-1-(3-methylbutyl)triazole

C10H17N3 — CID 139426325

IUPAC4-cyclopropyl-1-(3-methylbutyl)triazole
SMILESCC(C)CCn1cc(C2CC2)nn1
InChIInChI=1S/C10H17N3/c1-8(2)5-6-13-7-10(11-12-13)9-3-4-9/h7-9H,3-6H2,1-2H3
InChIKeyRNCFLFCXDGFJPF-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.20
Rot. Bonds4

About 4-cyclopropyl-1-(3-methylbutyl)triazole

4-cyclopropyl-1-(3-methylbutyl)triazole (PubChem CID 139426325) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-cyclopropyl-1-(3-methylbutyl)triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-(3-methylbutyl)triazole
PubChem CID139426325
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-cyclopropyl-1-(3-methylbutyl)triazole
SMILESCC(C)CCn1cc(C2CC2)nn1
InChIInChI=1S/C10H17N3/c1-8(2)5-6-13-7-10(11-12-13)9-3-4-9/h7-9H,3-6H2,1-2H3
InChIKeyRNCFLFCXDGFJPF-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutyl)-4-propyltriazole
CID 68679793
methyl (2S)-2-amino-3-(4-cyclopropyltriazol-1-yl)propanoate
CID 59640741
5-cyclopropyl-1-(3-methylbutyl)triazole-4-carbaldehyde
CID 82208228
1-(3-methylbutyl)triazole-4-sulfonamide
CID 167782575
4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine
CID 46991997
4-cyclopropyl-1-[1-(2-methylpropylsulfonyl)azetidin-3-yl]triazole
CID 121190273
1-[1-(3-methylbutyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354717
2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine
CID 146144465
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 124589213
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 124589215
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 119483631
[(5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 124860569

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(3-methylbutyl)triazole?
The IUPAC name of 4-cyclopropyl-1-(3-methylbutyl)triazole (CID 139426325) is 4-cyclopropyl-1-(3-methylbutyl)triazole.
What is the SMILES notation for 4-cyclopropyl-1-(3-methylbutyl)triazole?
The canonical SMILES for 4-cyclopropyl-1-(3-methylbutyl)triazole is CC(C)CCn1cc(C2CC2)nn1.
What is the InChIKey of 4-cyclopropyl-1-(3-methylbutyl)triazole?
The InChIKey is RNCFLFCXDGFJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)5-6-13-7-10(11-12-13)9-3-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-cyclopropyl-1-(3-methylbutyl)triazole?
4-cyclopropyl-1-(3-methylbutyl)triazole has a molecular weight of 179.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(3-methylbutyl)triazole is sourced from PubChem (CID 139426325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).