cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide

C14H16N4O — CID 136588625

IUPACcis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCn1nncc1NC(=O)[C@@H]1C[C@]1(C)c1ccccc1
InChIInChI=1S/C14H16N4O/c1-14(10-6-4-3-5-7-10)8-11(14)13(19)16-12-9-15-17-18(12)2/h3-7,9,11H,8H2,1-2H3,(H,16,19)/t11-,14+/m0/s1
InChIKeyUINDFCSNKOVBGX-SMDDNHRTSA-N
MW256.31 g/mol
LogP1.73
Rot. Bonds3

About cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 136588625) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID136588625
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Namecis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCn1nncc1NC(=O)[C@@H]1C[C@]1(C)c1ccccc1
InChIInChI=1S/C14H16N4O/c1-14(10-6-4-3-5-7-10)8-11(14)13(19)16-12-9-15-17-18(12)2/h3-7,9,11H,8H2,1-2H3,(H,16,19)/t11-,14+/m0/s1
InChIKeyUINDFCSNKOVBGX-SMDDNHRTSA-N
XLogP1.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide (CID 136588625) is cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide is Cn1nncc1NC(=O)[C@@H]1C[C@]1(C)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is UINDFCSNKOVBGX-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H16N4O/c1-14(10-6-4-3-5-7-10)8-11(14)13(19)16-12-9-15-17-18(12)2/h3-7,9,11H,8H2,1-2H3,(H,16,19)/t11-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 136588625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).