3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine

C9H18N4 — CID 107052835

IUPAC3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1cn(C)nn1
InChIInChI=1S/C9H18N4/c1-3-6-10-7-4-5-9-8-13(2)12-11-9/h8,10H,3-7H2,1-2H3
InChIKeyPURSPGLHASYYFB-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.75
Rot. Bonds6

About 3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine

3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine (PubChem CID 107052835) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
PubChem CID107052835
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1cn(C)nn1
InChIInChI=1S/C9H18N4/c1-3-6-10-7-4-5-9-8-13(2)12-11-9/h8,10H,3-7H2,1-2H3
InChIKeyPURSPGLHASYYFB-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
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

4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 107054853
N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine
CID 70457819
4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
CID 158259702
N-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]propan-1-amine
CID 107044413
ethane;1-methyl-4-propyltriazole
CID 168923376
4-(3-bromopropyl)-1-methyltriazole
CID 107053634
N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054859
4-(1-methyltriazol-4-yl)-2-phenyl-N-propylbutan-1-amine
CID 107059234
2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine
CID 107052901
N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine
CID 107054857
2,3-dimethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylbutan-1-amine
CID 107053556
1-methyl-4-pent-4-ynyltriazole
CID 58281228

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine (CID 107052835) is 3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine is CCCNCCCc1cn(C)nn1.
What is the InChIKey of 3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is PURSPGLHASYYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-6-10-7-4-5-9-8-13(2)12-11-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine?
3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 107052835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).