1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine

C10H18N4 — CID 114286725

IUPAC1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine
SMILESCC(C)c1nc(C2(N)CCC2)n(C)n1
InChIInChI=1S/C10H18N4/c1-7(2)8-12-9(14(3)13-8)10(11)5-4-6-10/h7H,4-6,11H2,1-3H3
InChIKeyGDLLUULWXRUSFH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.28
Rot. Bonds2

About 1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine

1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine (PubChem CID 114286725) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine
PubChem CID114286725
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine
SMILESCC(C)c1nc(C2(N)CCC2)n(C)n1
InChIInChI=1S/C10H18N4/c1-7(2)8-12-9(14(3)13-8)10(11)5-4-6-10/h7H,4-6,11H2,1-3H3
InChIKeyGDLLUULWXRUSFH-UHFFFAOYSA-N
XLogP1.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
The IUPAC name of 1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine (CID 114286725) is 1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine is CC(C)c1nc(C2(N)CCC2)n(C)n1.
What is the InChIKey of 1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
The InChIKey is GDLLUULWXRUSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)8-12-9(14(3)13-8)10(11)5-4-6-10/h7H,4-6,11H2,1-3H3.
What are the key properties of 1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 114286725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).