5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole

C11H15N5 — CID 95124171

IUPAC5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole
SMILESC[C@@H](Cn1cccn1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H15N5/c1-8(7-16-6-2-5-12-16)10-13-11(15-14-10)9-3-4-9/h2,5-6,8-9H,3-4,7H2,1H3,(H,13,14,15)/t8-/m0/s1
InChIKeyKZUKAUAOMYZGCW-QMMMGPOBSA-N
MW217.28 g/mol
LogP1.68
Rot. Bonds4

About 5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole

5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole (PubChem CID 95124171) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole
PubChem CID95124171
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole
SMILESC[C@@H](Cn1cccn1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H15N5/c1-8(7-16-6-2-5-12-16)10-13-11(15-14-10)9-3-4-9/h2,5-6,8-9H,3-4,7H2,1H3,(H,13,14,15)/t8-/m0/s1
InChIKeyKZUKAUAOMYZGCW-QMMMGPOBSA-N
XLogP1.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-amine
CID 28742868
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 53192282
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 53618551
1-butyl-3-methyl-5-[3-(1H-pyrazol-1-yl)propyl]-1H-1,2,4-triazole
CID 72841091
N-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-N-methyl-3-(1H-pyrazol-1-yl)propan-1-amine
CID 129620647
1-[3-(1H-pyrazol-1-yl)propyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 129623656
1-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)butyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21279723
3-pyrazol-1-yl-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 57596571
3-isobutyl-5-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 131927193
1-[1-[4-(1H-1,2,4-triazol-5-yl)butyl]pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 152770242
3-cyclopropyl-5-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole
CID 50957733
1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine
CID 61278116

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole (CID 95124171) is 5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole is C[C@@H](Cn1cccn1)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole?
The InChIKey is KZUKAUAOMYZGCW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N5/c1-8(7-16-6-2-5-12-16)10-13-11(15-14-10)9-3-4-9/h2,5-6,8-9H,3-4,7H2,1H3,(H,13,14,15)/t8-/m0/s1.
What are the key properties of 5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole?
5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole has a molecular weight of 217.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 95124171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).