cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone

C9H12N4O — CID 130935368

IUPACcyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CC1)N1CCc2n[nH]nc2C1
InChIInChI=1S/C9H12N4O/c14-9(6-1-2-6)13-4-3-7-8(5-13)11-12-10-7/h6H,1-5H2,(H,10,11,12)
InChIKeyDJJRSVDNQPHJRC-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.10
Rot. Bonds1

About cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone

cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 130935368) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID130935368
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Namecyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CC1)N1CCc2n[nH]nc2C1
InChIInChI=1S/C9H12N4O/c14-9(6-1-2-6)13-4-3-7-8(5-13)11-12-10-7/h6H,1-5H2,(H,10,11,12)
InChIKeyDJJRSVDNQPHJRC-UHFFFAOYSA-N
XLogP0.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone
CID 146443423
1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)prop-2-yn-1-one
CID 130694100
1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one
CID 130840348
6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 112708591
cyclopropyl-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872601
cyclopropyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872742
2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 110712795
2-benzyl-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135481446
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone;hydrochloride
CID 118555832
cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone
CID 166189559
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774685
2-[(2R)-1-(cyclopentanecarbonyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774689

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone (CID 130935368) is cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone is O=C(C1CC1)N1CCc2n[nH]nc2C1.
What is the InChIKey of cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is DJJRSVDNQPHJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c14-9(6-1-2-6)13-4-3-7-8(5-13)11-12-10-7/h6H,1-5H2,(H,10,11,12).
What are the key properties of cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone?
cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 192.22 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 130935368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).