1-dodecyl-5-propan-2-yltriazol-4-amine

C17H34N4 — CID 79536320

IUPAC1-dodecyl-5-propan-2-yltriazol-4-amine
SMILESCCCCCCCCCCCCn1nnc(N)c1C(C)C
InChIInChI=1S/C17H34N4/c1-4-5-6-7-8-9-10-11-12-13-14-21-16(15(2)3)17(18)19-20-21/h15H,4-14,18H2,1-3H3
InChIKeyZTHXKGUDJSAADK-UHFFFAOYSA-N
MW294.49 g/mol
LogP4.90
Rot. Bonds12

About 1-dodecyl-5-propan-2-yltriazol-4-amine

1-dodecyl-5-propan-2-yltriazol-4-amine (PubChem CID 79536320) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-dodecyl-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-dodecyl-5-propan-2-yltriazol-4-amine
PubChem CID79536320
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-dodecyl-5-propan-2-yltriazol-4-amine
SMILESCCCCCCCCCCCCn1nnc(N)c1C(C)C
InChIInChI=1S/C17H34N4/c1-4-5-6-7-8-9-10-11-12-13-14-21-16(15(2)3)17(18)19-20-21/h15H,4-14,18H2,1-3H3
InChIKeyZTHXKGUDJSAADK-UHFFFAOYSA-N
XLogP4.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 54.90
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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Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-dodecyl-5-propan-2-yltriazol-4-amine (CID 79536320) is 1-dodecyl-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-dodecyl-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-dodecyl-5-propan-2-yltriazol-4-amine is CCCCCCCCCCCCn1nnc(N)c1C(C)C.
What is the InChIKey of 1-dodecyl-5-propan-2-yltriazol-4-amine?
The InChIKey is ZTHXKGUDJSAADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-4-5-6-7-8-9-10-11-12-13-14-21-16(15(2)3)17(18)19-20-21/h15H,4-14,18H2,1-3H3.
What are the key properties of 1-dodecyl-5-propan-2-yltriazol-4-amine?
1-dodecyl-5-propan-2-yltriazol-4-amine has a molecular weight of 294.49 g/mol, XLogP of 4.90, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 79536320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).