2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide

C7H15N5O — CID 146482296

IUPAC2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C=C(CN)NN1
InChIInChI=1S/C7H15N5O/c1-11(2)7(13)5-12-4-6(3-8)9-10-12/h4,9-10H,3,5,8H2,1-2H3
InChIKeyBDFGHUXRZCATFI-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.80
Rot. Bonds3

About 2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide

2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide (PubChem CID 146482296) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide
PubChem CID146482296
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C=C(CN)NN1
InChIInChI=1S/C7H15N5O/c1-11(2)7(13)5-12-4-6(3-8)9-10-12/h4,9-10H,3,5,8H2,1-2H3
InChIKeyBDFGHUXRZCATFI-UHFFFAOYSA-N
XLogP-1.80
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide (CID 146482296) is 2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1C=C(CN)NN1.
What is the InChIKey of 2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide?
The InChIKey is BDFGHUXRZCATFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-11(2)7(13)5-12-4-6(3-8)9-10-12/h4,9-10H,3,5,8H2,1-2H3.
What are the key properties of 2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide?
2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide has a molecular weight of 185.23 g/mol, XLogP of -1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 146482296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).