N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide

C9H14N4O — CID 140570560

IUPACN-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide
SMILESC=C(C(=O)N(C)C(C)C)c1ncn[nH]1
InChIInChI=1S/C9H14N4O/c1-6(2)13(4)9(14)7(3)8-10-5-11-12-8/h5-6H,3H2,1-2,4H3,(H,10,11,12)
InChIKeyFWPKIFQPTGSEOB-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.68
Rot. Bonds3

About N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide

N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide (PubChem CID 140570560) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide
PubChem CID140570560
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide
SMILESC=C(C(=O)N(C)C(C)C)c1ncn[nH]1
InChIInChI=1S/C9H14N4O/c1-6(2)13(4)9(14)7(3)8-10-5-11-12-8/h5-6H,3H2,1-2,4H3,(H,10,11,12)
InChIKeyFWPKIFQPTGSEOB-UHFFFAOYSA-N
XLogP0.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxyethyl)-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 57182824
9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 122547612
7-(diethylaminomethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
CID 24076134
3,4-dimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2,5-dione
CID 64529940
3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2,5-dione
CID 64530839
3-methyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2,5-dione
CID 64531038
3,4-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2,5-dione
CID 64531334
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]but-2-enamide
CID 64547577
3-methyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2,5-dione
CID 106281528
3,4-dimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2,5-dione
CID 106282474
5-[(propan-2-ylamino)methyl]-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one
CID 114206302

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
The IUPAC name of N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide (CID 140570560) is N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
The canonical SMILES for N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide is C=C(C(=O)N(C)C(C)C)c1ncn[nH]1.
What is the InChIKey of N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
The InChIKey is FWPKIFQPTGSEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(2)13(4)9(14)7(3)8-10-5-11-12-8/h5-6H,3H2,1-2,4H3,(H,10,11,12).
What are the key properties of N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide has a molecular weight of 194.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide is sourced from PubChem (CID 140570560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).