[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine

C13H22N4 — CID 112593751

IUPAC[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1C1CC2CCC1C2
InChIInChI=1S/C13H22N4/c1-2-5-17-12(8-14)15-16-13(17)11-7-9-3-4-10(11)6-9/h9-11H,2-8,14H2,1H3
InChIKeyAKGLSGSQILWXMJ-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.05
Rot. Bonds4

About [5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine

[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593751) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593751
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1C1CC2CCC1C2
InChIInChI=1S/C13H22N4/c1-2-5-17-12(8-14)15-16-13(17)11-7-9-3-4-10(11)6-9/h9-11H,2-8,14H2,1H3
InChIKeyAKGLSGSQILWXMJ-UHFFFAOYSA-N
XLogP2.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

[5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593193
[5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 113301473
3-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)-4-methyl-1,2,4-triazole
CID 115399854
[4-ethyl-5-(2-methylcyclopropyl)-1,2,4-triazol-3-yl]methanamine
CID 112593552
4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine
CID 114182246
3-cyclopropyl-4,5-dipropyl-1,2,4-triazole
CID 144754875
[5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 64747521
[2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040056
[5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593728
[5-(2-ethylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 130826659
[4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine
CID 107186492
[4-propyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanamine
CID 112593682

Frequently Asked Questions

What is the IUPAC name of [5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (CID 112593751) is [5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1C1CC2CCC1C2.
What is the InChIKey of [5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is AKGLSGSQILWXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-5-17-12(8-14)15-16-13(17)11-7-9-3-4-10(11)6-9/h9-11H,2-8,14H2,1H3.
What are the key properties of [5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).