4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine

C10H20N4 — CID 107054853

IUPAC4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCc1cn(C)nn1
InChIInChI=1S/C10H20N4/c1-3-7-11-8-5-4-6-10-9-14(2)13-12-10/h9,11H,3-8H2,1-2H3
InChIKeyDNILOEBMIFLOOP-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.14
Rot. Bonds7

About 4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine

4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine (PubChem CID 107054853) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
PubChem CID107054853
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCc1cn(C)nn1
InChIInChI=1S/C10H20N4/c1-3-7-11-8-5-4-6-10-9-14(2)13-12-10/h9,11H,3-8H2,1-2H3
InChIKeyDNILOEBMIFLOOP-UHFFFAOYSA-N
XLogP1.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.14
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

3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052835
N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054859
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
N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine
CID 107054857
ethane;1-methyl-4-propyltriazole
CID 168923376
4-(3-bromopropyl)-1-methyltriazole
CID 107053634
4-(1-methyltriazol-4-yl)-2-phenyl-N-propylbutan-1-amine
CID 107059234
N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine
CID 155740981
2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine
CID 107052901
2,3-dimethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylbutan-1-amine
CID 107053556

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine (CID 107054853) is 4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine is CCCNCCCCc1cn(C)nn1.
What is the InChIKey of 4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine?
The InChIKey is DNILOEBMIFLOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-7-11-8-5-4-6-10-9-14(2)13-12-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine?
4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 107054853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).