[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine

C9H16N4 — CID 115447062

IUPAC[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
SMILESCCn1cnnc1C1(CN)CCC1
InChIInChI=1S/C9H16N4/c1-2-13-7-11-12-8(13)9(6-10)4-3-5-9/h7H,2-6,10H2,1H3
InChIKeyMQCCMBFBANFTAX-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.68
Rot. Bonds3

About [1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine

[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine (PubChem CID 115447062) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is [1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
PubChem CID115447062
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
SMILESCCn1cnnc1C1(CN)CCC1
InChIInChI=1S/C9H16N4/c1-2-13-7-11-12-8(13)9(6-10)4-3-5-9/h7H,2-6,10H2,1H3
InChIKeyMQCCMBFBANFTAX-UHFFFAOYSA-N
XLogP0.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 82597229
1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62694271
4-ethyl-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 63126328
4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole
CID 164660521
[4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine
CID 115443142
4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine
CID 115293381
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451900
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
CID 115443144
[1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
CID 115443141
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987229
5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597167
5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine
CID 115437081

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine (CID 115447062) is [1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine is CCn1cnnc1C1(CN)CCC1.
What is the InChIKey of [1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
The InChIKey is MQCCMBFBANFTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-13-7-11-12-8(13)9(6-10)4-3-5-9/h7H,2-6,10H2,1H3.
What are the key properties of [1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 115447062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).