(9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C15H17N5 — CID 121350793

IUPAC(9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESc1nn(C2CC2)cc1-c1ccc2c(n1)N[C@H]1CCN2C1
InChIInChI=1S/C15H17N5/c1-2-12(1)20-8-10(7-16-20)13-3-4-14-15(18-13)17-11-5-6-19(14)9-11/h3-4,7-8,11-12H,1-2,5-6,9H2,(H,17,18)/t11-/m0/s1
InChIKeyFYFWCOWFNZQSEK-NSHDSACASA-N
MW267.34 g/mol
LogP2.28
Rot. Bonds2

About (9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

(9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 121350793) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is (9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name(9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID121350793
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name(9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESc1nn(C2CC2)cc1-c1ccc2c(n1)N[C@H]1CCN2C1
InChIInChI=1S/C15H17N5/c1-2-12(1)20-8-10(7-16-20)13-3-4-14-15(18-13)17-11-5-6-19(14)9-11/h3-4,7-8,11-12H,1-2,5-6,9H2,(H,17,18)/t11-/m0/s1
InChIKeyFYFWCOWFNZQSEK-NSHDSACASA-N
XLogP2.28
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(9R)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 163662937
3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one
CID 176912062
(2S,6S)-2,6-dimethyl-4-(1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl)morpholine
CID 121359088
tert-butyl 5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxylate;5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene
CID 159661165
6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 162038898
(9S)-N-(3-fluoro-4-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 158190852
5-(3-fluorophenyl)-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 145084662
2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
CID 155432779
1-(1-cyclopropylpyrazol-4-yl)piperazine
CID 84772475
1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole
CID 121383014
4-bromo-5-(6-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 121359591
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]aniline
CID 166992967

Frequently Asked Questions

What is the IUPAC name of (9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of (9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 121350793) is (9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for (9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for (9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is c1nn(C2CC2)cc1-c1ccc2c(n1)N[C@H]1CCN2C1.
What is the InChIKey of (9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is FYFWCOWFNZQSEK-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N5/c1-2-12(1)20-8-10(7-16-20)13-3-4-14-15(18-13)17-11-5-6-19(14)9-11/h3-4,7-8,11-12H,1-2,5-6,9H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
(9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 267.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-5-(1-cyclopropylpyrazol-4-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 121350793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).