2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine

C9H16N4 — CID 130554368

IUPAC2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine
SMILESCC1(C)CCC1NCc1ncn[nH]1
InChIInChI=1S/C9H16N4/c1-9(2)4-3-7(9)10-5-8-11-6-12-13-8/h6-7,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyJZSHGDNOZROCHQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.08
Rot. Bonds3

About 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine

2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine (PubChem CID 130554368) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine
PubChem CID130554368
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine
SMILESCC1(C)CCC1NCc1ncn[nH]1
InChIInChI=1S/C9H16N4/c1-9(2)4-3-7(9)10-5-8-11-6-12-13-8/h6-7,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyJZSHGDNOZROCHQ-UHFFFAOYSA-N
XLogP1.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine
CID 130698407
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine
CID 60978223
4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
CID 62709177
4,4-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thian-3-amine
CID 79948119
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104918546
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine
CID 82727643
N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 130556518
3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
CID 106872008
1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 64548695
2,2-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine
CID 79831028
2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
CID 81321368
1-cyclobutyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 116656324

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine (CID 130554368) is 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine is CC1(C)CCC1NCc1ncn[nH]1.
What is the InChIKey of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine?
The InChIKey is JZSHGDNOZROCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(2)4-3-7(9)10-5-8-11-6-12-13-8/h6-7,10H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine?
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 130554368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).