5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine

C8H15N5 — CID 83875837

IUPAC5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine
SMILESCCn1c(CN)nnc1NC1CC1
InChIInChI=1S/C8H15N5/c1-2-13-7(5-9)11-12-8(13)10-6-3-4-6/h6H,2-5,9H2,1H3,(H,10,12)
InChIKeyFXCNYVVXNUCWDY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.33
Rot. Bonds4

About 5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine

5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine (PubChem CID 83875837) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine
PubChem CID83875837
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine
SMILESCCn1c(CN)nnc1NC1CC1
InChIInChI=1S/C8H15N5/c1-2-13-7(5-9)11-12-8(13)10-6-3-4-6/h6H,2-5,9H2,1H3,(H,10,12)
InChIKeyFXCNYVVXNUCWDY-UHFFFAOYSA-N
XLogP0.33
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593535
[4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine
CID 112593552
[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313730
2-N-cyclopentyl-3-ethylimidazole-2,4-diamine
CID 117190557
(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593472
(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593519
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 63313317
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-ol
CID 55205630
4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine
CID 83890248
3-[5-(cyclopropylamino)-4-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 83884997
4-(aminomethyl)-N-cyclopropyl-5,6-diethylpyridazin-3-amine
CID 80508921
5-chloro-N-cyclobutyl-1-ethylimidazol-2-amine
CID 117260383

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine (CID 83875837) is 5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine is CCn1c(CN)nnc1NC1CC1.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine?
The InChIKey is FXCNYVVXNUCWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-2-13-7(5-9)11-12-8(13)10-6-3-4-6/h6H,2-5,9H2,1H3,(H,10,12).
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine?
5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-4-ethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 83875837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).