N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide

C8H15N5O — CID 115682148

IUPACN,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide
SMILESCN(C)C(=O)CNCc1cnnn1C
InChIInChI=1S/C8H15N5O/c1-12(2)8(14)6-9-4-7-5-10-11-13(7)3/h5,9H,4,6H2,1-3H3
InChIKeyWZHJMWBNVFHELO-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.01
Rot. Bonds4

About N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide

N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide (PubChem CID 115682148) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide
PubChem CID115682148
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide
SMILESCN(C)C(=O)CNCc1cnnn1C
InChIInChI=1S/C8H15N5O/c1-12(2)8(14)6-9-4-7-5-10-11-13(7)3/h5,9H,4,6H2,1-3H3
InChIKeyWZHJMWBNVFHELO-UHFFFAOYSA-N
XLogP-1.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 115682439
methyl 3-[(3-methyltriazol-4-yl)methylamino]propanoate
CID 115978304
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]acetamide
CID 62757210
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
CID 66270736
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylacetamide
CID 43664954
2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol
CID 115745052
2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine
CID 115682285
N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 115682190
N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087
N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
N-[(3-methyltriazol-4-yl)methyl]-2-sulfanylpropanamide
CID 130820309

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide (CID 115682148) is N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide is CN(C)C(=O)CNCc1cnnn1C.
What is the InChIKey of N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide?
The InChIKey is WZHJMWBNVFHELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-12(2)8(14)6-9-4-7-5-10-11-13(7)3/h5,9H,4,6H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide?
N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide has a molecular weight of 197.24 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 115682148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).