N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide

C10H16N4O — CID 136512967

IUPACN,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1(C)CCC1
InChIInChI=1S/C10H16N4O/c1-10(4-3-5-10)9(15)14(2)6-8-11-7-12-13-8/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyXDPGULNMIMGNGC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.95
Rot. Bonds3

About N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide

N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 136512967) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide
PubChem CID136512967
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1(C)CCC1
InChIInChI=1S/C10H16N4O/c1-10(4-3-5-10)9(15)14(2)6-8-11-7-12-13-8/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyXDPGULNMIMGNGC-UHFFFAOYSA-N
XLogP0.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide (CID 136512967) is N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide is CN(Cc1ncn[nH]1)C(=O)C1(C)CCC1.
What is the InChIKey of N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is XDPGULNMIMGNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(4-3-5-10)9(15)14(2)6-8-11-7-12-13-8/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide?
N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 136512967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).