(2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide

C12H20N4O2 — CID 164642096

IUPAC(2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOCC1(N(C)C(=O)[C@@H](C)Cn2cncn2)CC1
InChIInChI=1S/C12H20N4O2/c1-10(6-16-9-13-8-14-16)11(17)15(2)12(4-5-12)7-18-3/h8-10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyAHDYZRBHSHTMLQ-JTQLQIEISA-N
MW252.32 g/mol
LogP0.55
Rot. Bonds6

About (2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 164642096) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID164642096
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOCC1(N(C)C(=O)[C@@H](C)Cn2cncn2)CC1
InChIInChI=1S/C12H20N4O2/c1-10(6-16-9-13-8-14-16)11(17)15(2)12(4-5-12)7-18-3/h8-10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyAHDYZRBHSHTMLQ-JTQLQIEISA-N
XLogP0.55
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 164635860
N-(2-hydroxyethyl)-N-propan-2-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 43572991
N-cyclopropyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 43577014
N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 45823850
1-(3,3-Dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 48522300
3-(1,2,4-Triazol-1-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 48689639
1-(2,6-Dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 51075618
1-(2,5-Dimethylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 51077406
1-(2-Methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 53498149
1-(3-Methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 53499016
Ethyl 2-[propan-2-yl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 54896492
Ethyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 54899007

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide (CID 164642096) is (2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide is COCC1(N(C)C(=O)[C@@H](C)Cn2cncn2)CC1.
What is the InChIKey of (2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is AHDYZRBHSHTMLQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10(6-16-9-13-8-14-16)11(17)15(2)12(4-5-12)7-18-3/h8-10H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(methoxymethyl)cyclopropyl]-N,2-dimethyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 164642096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).