1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

C11H18N4 — CID 79850996

IUPAC1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CC2(N)CCC2)n1C1CC1
InChIInChI=1S/C11H18N4/c1-8-13-14-10(15(8)9-3-4-9)7-11(12)5-2-6-11/h9H,2-7,12H2,1H3
InChIKeyCWYZUXJOTPWHRB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.35
Rot. Bonds3

About 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 79850996) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID79850996
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CC2(N)CCC2)n1C1CC1
InChIInChI=1S/C11H18N4/c1-8-13-14-10(15(8)9-3-4-9)7-11(12)5-2-6-11/h9H,2-7,12H2,1H3
InChIKeyCWYZUXJOTPWHRB-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (CID 79850996) is 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is Cc1nnc(CC2(N)CCC2)n1C1CC1.
What is the InChIKey of 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is CWYZUXJOTPWHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-13-14-10(15(8)9-3-4-9)7-11(12)5-2-6-11/h9H,2-7,12H2,1H3.
What are the key properties of 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 79850996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).