1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole

C10H17N3 — CID 140943311

IUPAC1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole
SMILESCC(C)C1(c2ncn(C)n2)CCC1
InChIInChI=1S/C10H17N3/c1-8(2)10(5-4-6-10)9-11-7-13(3)12-9/h7-8H,4-6H2,1-3H3
InChIKeyTWCYRBNUXMPOEM-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.89
Rot. Bonds2

About 1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole

1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole (PubChem CID 140943311) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole
PubChem CID140943311
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole
SMILESCC(C)C1(c2ncn(C)n2)CCC1
InChIInChI=1S/C10H17N3/c1-8(2)10(5-4-6-10)9-11-7-13(3)12-9/h7-8H,4-6H2,1-3H3
InChIKeyTWCYRBNUXMPOEM-UHFFFAOYSA-N
XLogP1.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole?
The IUPAC name of 1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole (CID 140943311) is 1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole is CC(C)C1(c2ncn(C)n2)CCC1.
What is the InChIKey of 1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole?
The InChIKey is TWCYRBNUXMPOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)10(5-4-6-10)9-11-7-13(3)12-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole?
1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-propan-2-ylcyclobutyl)-1,2,4-triazole is sourced from PubChem (CID 140943311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).