N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide

C10H15N7O — CID 64510061

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide
SMILESCc1nc(CN(C)C(=O)CCn2ccnn2)n[nH]1
InChIInChI=1S/C10H15N7O/c1-8-12-9(14-13-8)7-16(2)10(18)3-5-17-6-4-11-15-17/h4,6H,3,5,7H2,1-2H3,(H,12,13,14)
InChIKeyRRBZDKHMCZJYDJ-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.25
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide (PubChem CID 64510061) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide
PubChem CID64510061
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide
SMILESCc1nc(CN(C)C(=O)CCn2ccnn2)n[nH]1
InChIInChI=1S/C10H15N7O/c1-8-12-9(14-13-8)7-16(2)10(18)3-5-17-6-4-11-15-17/h4,6H,3,5,7H2,1-2H3,(H,12,13,14)
InChIKeyRRBZDKHMCZJYDJ-UHFFFAOYSA-N
XLogP-0.25
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide (CID 64510061) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide is Cc1nc(CN(C)C(=O)CCn2ccnn2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide?
The InChIKey is RRBZDKHMCZJYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-8-12-9(14-13-8)7-16(2)10(18)3-5-17-6-4-11-15-17/h4,6H,3,5,7H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide has a molecular weight of 249.28 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 64510061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).