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

C11H20N4 — CID 115891206

IUPAC3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1n[nH]c(C)n1
InChIInChI=1S/C11H20N4/c1-5-6-8(2)9(3)12-7-11-13-10(4)14-15-11/h5,8-9,12H,1,6-7H2,2-4H3,(H,13,14,15)
InChIKeyOMQSTVPZIFZLPE-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.80
Rot. Bonds6

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

3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine (PubChem CID 115891206) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine
PubChem CID115891206
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1n[nH]c(C)n1
InChIInChI=1S/C11H20N4/c1-5-6-8(2)9(3)12-7-11-13-10(4)14-15-11/h5,8-9,12H,1,6-7H2,2-4H3,(H,13,14,15)
InChIKeyOMQSTVPZIFZLPE-UHFFFAOYSA-N
XLogP1.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine with MolForge

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Related Compounds

3-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pent-4-en-1-amine
CID 123505695
5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine
CID 123972560
(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine
CID 163878218
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]but-1-en-2-amine
CID 172383655
2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine
CID 61279337
1-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 61279768
2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine
CID 61338723
1-(5-Isopropyl-1h-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 61339101
N-methyl-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
CID 61818132
N-methyl-1-(1H-1,2,4-triazol-5-yl)pent-4-en-1-amine
CID 65360075
N-ethyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine
CID 65360085
N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-en-1-amine
CID 65360098

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine?
The IUPAC name of 3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine (CID 115891206) is 3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for 3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine is C=CCC(C)C(C)NCc1n[nH]c(C)n1.
What is the InChIKey of 3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine?
The InChIKey is OMQSTVPZIFZLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-5-6-8(2)9(3)12-7-11-13-10(4)14-15-11/h5,8-9,12H,1,6-7H2,2-4H3,(H,13,14,15).
What are the key properties of 3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine?
3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 115891206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).