N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide

C7H15N5O — CID 118411396

IUPACN-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NCC1=CNNN1
InChIInChI=1S/C7H15N5O/c1-12(2)5-7(13)8-3-6-4-9-11-10-6/h4,9-11H,3,5H2,1-2H3,(H,8,13)
InChIKeyLZMMNSAAMCSPRX-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.88
Rot. Bonds4

About N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide

N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide (PubChem CID 118411396) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide
PubChem CID118411396
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC NameN-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NCC1=CNNN1
InChIInChI=1S/C7H15N5O/c1-12(2)5-7(13)8-3-6-4-9-11-10-6/h4,9-11H,3,5H2,1-2H3,(H,8,13)
InChIKeyLZMMNSAAMCSPRX-UHFFFAOYSA-N
XLogP-1.88
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide
CID 88559435
N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide
CID 88974746
2-(4-Amino-1,5-dihydropyrazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 129270082
N-[(3-methyl-1,2-dihydrotriazol-2-ium-5-yl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 144934550
N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide
CID 144946497
2-[5-(aminomethyl)-1,2-dihydrotriazol-3-yl]-N,N-dimethylacetamide
CID 146482296
N-[(2,3-dimethyl-1H-triazol-5-yl)methyl]acetamide
CID 156527892
N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide
CID 156793839
1-[4-(Aminomethyl)-1,2-dihydrotriazol-3-yl]ethanone
CID 169832505
2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide
CID 174293230
N-(2-methyl-3-oxo-1H-pyrazol-4-yl)acetamide
CID 45121500
N-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 144934551

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide (CID 118411396) is N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide is CN(C)CC(=O)NCC1=CNNN1.
What is the InChIKey of N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide?
The InChIKey is LZMMNSAAMCSPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-12(2)5-7(13)8-3-6-4-9-11-10-6/h4,9-11H,3,5H2,1-2H3,(H,8,13).
What are the key properties of N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide?
N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide has a molecular weight of 185.23 g/mol, XLogP of -1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 118411396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).