2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine

C9H19N5 — CID 62055377

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1cc(CN)nn1
InChIInChI=1S/C9H19N5/c1-3-13(4-2)5-6-14-8-9(7-10)11-12-14/h8H,3-7,10H2,1-2H3
InChIKeyDYWPEIVTNNLFJQ-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.08
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine

2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine (PubChem CID 62055377) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine
PubChem CID62055377
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1cc(CN)nn1
InChIInChI=1S/C9H19N5/c1-3-13(4-2)5-6-14-8-9(7-10)11-12-14/h8H,3-7,10H2,1-2H3
InChIKeyDYWPEIVTNNLFJQ-UHFFFAOYSA-N
XLogP0.08
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine (CID 62055377) is 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine is CCN(CC)CCn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine?
The InChIKey is DYWPEIVTNNLFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-3-13(4-2)5-6-14-8-9(7-10)11-12-14/h8H,3-7,10H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine?
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine has a molecular weight of 197.29 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylethanamine is sourced from PubChem (CID 62055377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).