N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C10H19N5O — CID 64517093

IUPACN-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(C)NCCC(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C10H19N5O/c1-8(2)11-5-4-10(16)15(3)6-9-12-7-13-14-9/h7-8,11H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyNTWYIURXRSJFIQ-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.15
Rot. Bonds6

About N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64517093) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64517093
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(C)NCCC(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C10H19N5O/c1-8(2)11-5-4-10(16)15(3)6-9-12-7-13-14-9/h7-8,11H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyNTWYIURXRSJFIQ-UHFFFAOYSA-N
XLogP0.15
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518263
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
4-amino-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 81080305
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 112695743
N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 64511249
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hept-6-ynamide
CID 103908758
3-(3,5-dimethylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510103
3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510727
2-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 113416605
N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64511251
4-amino-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155987

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64517093) is N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CC(C)NCCC(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is NTWYIURXRSJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(2)11-5-4-10(16)15(3)6-9-12-7-13-14-9/h7-8,11H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 225.30 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64517093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).