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

C10H20N4 — CID 115891212

IUPAC4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine
SMILESCc1nc(CNC(C)CC(C)C)n[nH]1
InChIInChI=1S/C10H20N4/c1-7(2)5-8(3)11-6-10-12-9(4)13-14-10/h7-8,11H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyZVCUZOITYWIONV-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.64
Rot. Bonds5

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

4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine (PubChem CID 115891212) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine
PubChem CID115891212
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine
SMILESCc1nc(CNC(C)CC(C)C)n[nH]1
InChIInChI=1S/C10H20N4/c1-7(2)5-8(3)11-6-10-12-9(4)13-14-10/h7-8,11H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyZVCUZOITYWIONV-UHFFFAOYSA-N
XLogP1.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine
CID 115891186
1-(azepan-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 131902701
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]hex-5-en-2-amine
CID 115891206
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115891158
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptan-3-amine
CID 115891178
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
CID 43663741
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]aniline
CID 61278325
ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
CID 144769727
1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645187
4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 130965368
1-(5-methylfuran-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645209

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine (CID 115891212) is 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine is Cc1nc(CNC(C)CC(C)C)n[nH]1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
The InChIKey is ZVCUZOITYWIONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-7(2)5-8(3)11-6-10-12-9(4)13-14-10/h7-8,11H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 115891212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).