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

C9H16N4 — CID 130530665

IUPAC2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine
SMILESCC(C)n1ncnc1C1CCC1N
InChIInChI=1S/C9H16N4/c1-6(2)13-9(11-5-12-13)7-3-4-8(7)10/h5-8H,3-4,10H2,1-2H3
InChIKeyFPWHZRDFMZMLQF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.06
Rot. Bonds2

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

2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine (PubChem CID 130530665) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine
PubChem CID130530665
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine
SMILESCC(C)n1ncnc1C1CCC1N
InChIInChI=1S/C9H16N4/c1-6(2)13-9(11-5-12-13)7-3-4-8(7)10/h5-8H,3-4,10H2,1-2H3
InChIKeyFPWHZRDFMZMLQF-UHFFFAOYSA-N
XLogP1.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole
CID 130530652
[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine
CID 81010403
4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 112563844
4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-one
CID 83261342
(3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744593
5-(azetidin-3-ylidenemethyl)-1-propan-2-yl-1,2,4-triazole
CID 79880318
1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744541
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553294
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81009190
N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81016803
(2-propan-2-yl-1,2,4-triazol-3-yl)boronic acid
CID 126978964

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
The IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine (CID 130530665) is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
The canonical SMILES for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine is CC(C)n1ncnc1C1CCC1N.
What is the InChIKey of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
The InChIKey is FPWHZRDFMZMLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6(2)13-9(11-5-12-13)7-3-4-8(7)10/h5-8H,3-4,10H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine?
2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 130530665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).