N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine

C9H18N4 — CID 62692198

IUPACN-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1cnnc1CCCNC
InChIInChI=1S/C9H18N4/c1-3-7-13-8-11-12-9(13)5-4-6-10-2/h8,10H,3-7H2,1-2H3
InChIKeyFBCZIXTXGWEHDT-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.84
Rot. Bonds6

About N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine

N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 62692198) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID62692198
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1cnnc1CCCNC
InChIInChI=1S/C9H18N4/c1-3-7-13-8-11-12-9(13)5-4-6-10-2/h8,10H,3-7H2,1-2H3
InChIKeyFBCZIXTXGWEHDT-UHFFFAOYSA-N
XLogP0.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62694659
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 62694477
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole
CID 115395107
3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 62710749
3-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,2,4-triazole
CID 103213666
3-(methylsulfonylmethyl)-4-propyl-1,2,4-triazole
CID 115395149
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine (CID 62692198) is N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine is CCCn1cnnc1CCCNC.
What is the InChIKey of N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is FBCZIXTXGWEHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-7-13-8-11-12-9(13)5-4-6-10-2/h8,10H,3-7H2,1-2H3.
What are the key properties of N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 62692198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).