(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine

C8H14N4 — CID 82207448

IUPAC(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
SMILESCCn1nnc(CN)c1C1CC1
InChIInChI=1S/C8H14N4/c1-2-12-8(6-3-4-6)7(5-9)10-11-12/h6H,2-5,9H2,1H3
InChIKeyMKGIKKHPEIIOQA-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.63
Rot. Bonds3

About (5-cyclopropyl-1-ethyltriazol-4-yl)methanamine

(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine (PubChem CID 82207448) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (5-cyclopropyl-1-ethyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
PubChem CID82207448
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
SMILESCCn1nnc(CN)c1C1CC1
InChIInChI=1S/C8H14N4/c1-2-12-8(6-3-4-6)7(5-9)10-11-12/h6H,2-5,9H2,1H3
InChIKeyMKGIKKHPEIIOQA-UHFFFAOYSA-N
XLogP0.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)propan-1-amine dihydrochloride
CID 155858823
[5-(2-Fluoropropan-2-yl)-1-methyltriazol-4-yl]methanamine
CID 83855069
(1S)-1-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)propan-1-amine
CID 155858824
5-cyclopropyl-1-(1,1,1-trifluoropropan-2-yl)-1H-1,2,3-triazole-4-carbothioamide
CID 165443733
1-[5-(propan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)-1H-1,2,3-triazol-4-yl]methanamine
CID 165443789
3-[4-(aminomethyl)-5-cyclopropyl-1H-1,2,3-triazol-1-yl]-2,2-difluoropropan-1-ol
CID 165587538
1-[5-propyl-1-(2,2,2-trifluoroethyl)-1H-1,2,3-triazol-4-yl]methanamine
CID 165591362
{[5-cyclopentyl-1-(2,2,2-trifluoroethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amine
CID 165591779
{[5-cyclobutyl-1-(2,2,2-trifluoroethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amine
CID 165594541
methyl({[5-propyl-1-(1,1,1-trifluoropropan-2-yl)-1H-1,2,3-triazol-4-yl]methyl})amine
CID 165594628
{[5-cyclobutyl-1-(2,2-difluoroethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amine
CID 165594837
{[5-cyclobutyl-1-(1,1,1-trifluoropropan-2-yl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amine
CID 165594839

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-ethyltriazol-4-yl)methanamine?
The IUPAC name of (5-cyclopropyl-1-ethyltriazol-4-yl)methanamine (CID 82207448) is (5-cyclopropyl-1-ethyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-cyclopropyl-1-ethyltriazol-4-yl)methanamine?
The canonical SMILES for (5-cyclopropyl-1-ethyltriazol-4-yl)methanamine is CCn1nnc(CN)c1C1CC1.
What is the InChIKey of (5-cyclopropyl-1-ethyltriazol-4-yl)methanamine?
The InChIKey is MKGIKKHPEIIOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-12-8(6-3-4-6)7(5-9)10-11-12/h6H,2-5,9H2,1H3.
What are the key properties of (5-cyclopropyl-1-ethyltriazol-4-yl)methanamine?
(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine has a molecular weight of 166.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-ethyltriazol-4-yl)methanamine is sourced from PubChem (CID 82207448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).