(1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C13H15FN6O — CID 131687497

IUPAC(1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESO=C(N1CCn2cc(Cn3cncn3)nc2C1)C1(F)CC1
InChIInChI=1S/C13H15FN6O/c14-13(1-2-13)12(21)19-4-3-18-5-10(17-11(18)7-19)6-20-9-15-8-16-20/h5,8-9H,1-4,6-7H2
InChIKeyWAXRSGSNOIRFPQ-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.37
Rot. Bonds3

About (1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 131687497) has the molecular formula C13H15FN6O and a molecular weight of 290.30 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID131687497
Molecular FormulaC13H15FN6O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name(1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESO=C(N1CCn2cc(Cn3cncn3)nc2C1)C1(F)CC1
InChIInChI=1S/C13H15FN6O/c14-13(1-2-13)12(21)19-4-3-18-5-10(17-11(18)7-19)6-20-9-15-8-16-20/h5,8-9H,1-4,6-7H2
InChIKeyWAXRSGSNOIRFPQ-UHFFFAOYSA-N
XLogP0.37
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 72149351
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 72149666
2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 97390309
2-Cyclopropyl-1-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 97467153
N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 118739363
3-Cyclopropyl-7-(2-fluoroethyl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139558304
1-[3-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 128980185
1-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 129345961
1-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 129345962
2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 136565948
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 138025387
7-(cyclopropylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155841737

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 131687497) is (1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is O=C(N1CCn2cc(Cn3cncn3)nc2C1)C1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is WAXRSGSNOIRFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O/c14-13(1-2-13)12(21)19-4-3-18-5-10(17-11(18)7-19)6-20-9-15-8-16-20/h5,8-9H,1-4,6-7H2.
What are the key properties of (1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 290.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 131687497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).