3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

C11H13N5 — CID 50954227

IUPAC3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESC1Cc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2C1
InChIInChI=1S/C11H13N5/c1-2-7-8(3-1)13-14-9(7)11-12-10(15-16-11)6-4-5-6/h6H,1-5H2,(H,13,14)(H,12,15,16)
InChIKeyZDRZZJHVDAPTOJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.56
Rot. Bonds2

About 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (PubChem CID 50954227) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
PubChem CID50954227
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESC1Cc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2C1
InChIInChI=1S/C11H13N5/c1-2-7-8(3-1)13-14-9(7)11-12-10(15-16-11)6-4-5-6/h6H,1-5H2,(H,13,14)(H,12,15,16)
InChIKeyZDRZZJHVDAPTOJ-UHFFFAOYSA-N
XLogP1.56
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665766
3-cyclopropyl-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole
CID 50980206
3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 127044052
1-(1-ethyl-1H-1,2,4-triazol-5-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)methanamine
CID 77083975
3-[3-[(1-methylpiperidin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 72893448
3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 167926933
2,7-diethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole
CID 10679803
(2R,3R,4S)-3-prop-2-enyl-7-(1H-1,2,4-triazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
CID 57933525
(2S,4R)-7-(1H-1,2,4-triazol-5-yl)spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopropane]
CID 58708474
N-[3-methoxysulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-4-yl]methanimine
CID 138514693
3-((2-methylallyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine
CID 4910458
3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole
CID 50957974

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (CID 50954227) is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.
What is the SMILES notation for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The canonical SMILES for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is C1Cc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2C1.
What is the InChIKey of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The InChIKey is ZDRZZJHVDAPTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-7-8(3-1)13-14-9(7)11-12-10(15-16-11)6-4-5-6/h6H,1-5H2,(H,13,14)(H,12,15,16).
What are the key properties of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole has a molecular weight of 215.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is sourced from PubChem (CID 50954227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).