2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

C9H18N4 — CID 61324751

IUPAC2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCn1cnnc1CNCC(C)(C)C
InChIInChI=1S/C9H18N4/c1-9(2,3)6-10-5-8-12-11-7-13(8)4/h7,10H,5-6H2,1-4H3
InChIKeyIDTOZTFPOQCRAC-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.95
Rot. Bonds3

About 2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (PubChem CID 61324751) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
PubChem CID61324751
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCn1cnnc1CNCC(C)(C)C
InChIInChI=1S/C9H18N4/c1-9(2,3)6-10-5-8-12-11-7-13(8)4/h7,10H,5-6H2,1-4H3
InChIKeyIDTOZTFPOQCRAC-UHFFFAOYSA-N
XLogP0.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (CID 61324751) is 2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is Cn1cnnc1CNCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The InChIKey is IDTOZTFPOQCRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-9(2,3)6-10-5-8-12-11-7-13(8)4/h7,10H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 61324751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).