(4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine

C13H24N4 — CID 112593136

IUPAC(4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine
SMILESCCCCC(CC)c1nnc(CN)n1C1CC1
InChIInChI=1S/C13H24N4/c1-3-5-6-10(4-2)13-16-15-12(9-14)17(13)11-7-8-11/h10-11H,3-9,14H2,1-2H3
InChIKeyYZNQOYKLBUFRCP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.76
Rot. Bonds7

About (4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine

(4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 112593136) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID112593136
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine
SMILESCCCCC(CC)c1nnc(CN)n1C1CC1
InChIInChI=1S/C13H24N4/c1-3-5-6-10(4-2)13-16-15-12(9-14)17(13)11-7-8-11/h10-11H,3-9,14H2,1-2H3
InChIKeyYZNQOYKLBUFRCP-UHFFFAOYSA-N
XLogP2.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine
CID 112593130
[4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 114877746
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65222073
[4-cyclopropyl-5-(2-ethylbutylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 82927901
ethyl 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]butanoate
CID 64662764
[4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593150
3-(bromomethyl)-5-heptan-3-yl-4-propan-2-yl-1,2,4-triazole
CID 115399104
5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride
CID 165466298
(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 115396305
4-cyclopropyl-5-pentyl-1,2,4-triazole-3-sulfonyl fluoride
CID 165476772
(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 112593244
3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791801

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine (CID 112593136) is (4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine is CCCCC(CC)c1nnc(CN)n1C1CC1.
What is the InChIKey of (4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is YZNQOYKLBUFRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-5-6-10(4-2)13-16-15-12(9-14)17(13)11-7-8-11/h10-11H,3-9,14H2,1-2H3.
What are the key properties of (4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine?
(4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 112593136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).