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

C9H17N5O — CID 64518263

IUPACN-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCC(C)NCC(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H17N5O/c1-7(2)10-4-9(15)14(3)5-8-11-6-12-13-8/h6-7,10H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyFWFUTOGDOKUIJX-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.24
Rot. Bonds5

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

N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64518263) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64518263
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCC(C)NCC(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H17N5O/c1-7(2)10-4-9(15)14(3)5-8-11-6-12-13-8/h6-7,10H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyFWFUTOGDOKUIJX-UHFFFAOYSA-N
XLogP-0.24
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64517093
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
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
2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64517287
2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
CID 64519833
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
2-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 113416605
4-amino-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155987
2-fluoro-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 64510490
5-bromo-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 64510329
N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64510523

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64518263) is N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CC(C)NCC(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is FWFUTOGDOKUIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7(2)10-4-9(15)14(3)5-8-11-6-12-13-8/h6-7,10H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 211.27 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64518263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).