N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine

C11H22N4 — CID 115891178

IUPACN-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine
SMILESCCCCC(CC)NCc1n[nH]c(C)n1
InChIInChI=1S/C11H22N4/c1-4-6-7-10(5-2)12-8-11-13-9(3)14-15-11/h10,12H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyVBKORSAAOYYQQL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.17
Rot. Bonds7

About N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine

N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine (PubChem CID 115891178) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine
PubChem CID115891178
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine
SMILESCCCCC(CC)NCc1n[nH]c(C)n1
InChIInChI=1S/C11H22N4/c1-4-6-7-10(5-2)12-8-11-13-9(3)14-15-11/h10,12H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyVBKORSAAOYYQQL-UHFFFAOYSA-N
XLogP2.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-4-amine
CID 115891150
3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine
CID 115891186
4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine
CID 115891212
N-(1H-pyrazol-5-ylmethyl)heptan-3-amine
CID 63946149
3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine
CID 115891206
N-(pyridin-4-ylmethyl)heptan-3-amine
CID 63947303
N-[(2-methyltetrazol-5-yl)methyl]octan-4-amine
CID 107167915
N-(1,3-thiazol-5-ylmethyl)heptan-3-amine
CID 104585423
2-hexyl-2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]octanamide
CID 131966260
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115891158
N-pentylheptan-3-amine
CID 63944300
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine?
The IUPAC name of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine (CID 115891178) is N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine.
What is the SMILES notation for N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine?
The canonical SMILES for N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine is CCCCC(CC)NCc1n[nH]c(C)n1.
What is the InChIKey of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine?
The InChIKey is VBKORSAAOYYQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-6-7-10(5-2)12-8-11-13-9(3)14-15-11/h10,12H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine?
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine is sourced from PubChem (CID 115891178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).