N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide

C8H15N5O — CID 115682453

IUPACN-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide
SMILESCNC(=O)C(C)NCc1cnnn1C
InChIInChI=1S/C8H15N5O/c1-6(8(14)9-2)10-4-7-5-11-12-13(7)3/h5-6,10H,4H2,1-3H3,(H,9,14)
InChIKeyJLGJXMOUOYFXAU-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.96
Rot. Bonds4

About N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide

N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide (PubChem CID 115682453) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide
PubChem CID115682453
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide
SMILESCNC(=O)C(C)NCc1cnnn1C
InChIInChI=1S/C8H15N5O/c1-6(8(14)9-2)10-4-7-5-11-12-13(7)3/h5-6,10H,4H2,1-3H3,(H,9,14)
InChIKeyJLGJXMOUOYFXAU-UHFFFAOYSA-N
XLogP-0.96
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide?
The IUPAC name of N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide (CID 115682453) is N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide is CNC(=O)C(C)NCc1cnnn1C.
What is the InChIKey of N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide?
The InChIKey is JLGJXMOUOYFXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6(8(14)9-2)10-4-7-5-11-12-13(7)3/h5-6,10H,4H2,1-3H3,(H,9,14).
What are the key properties of N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide?
N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide has a molecular weight of 197.24 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 115682453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).