6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane

C11H16N4 — CID 169105505

IUPAC6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane
SMILESC1CC1c1nc(C2CC3(CNC3)C2)n[nH]1
InChIInChI=1S/C11H16N4/c1-2-7(1)9-13-10(15-14-9)8-3-11(4-8)5-12-6-11/h7-8,12H,1-6H2,(H,13,14,15)
InChIKeyBEHQORPBVOIOLJ-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.15
Rot. Bonds2

About 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane

6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane (PubChem CID 169105505) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane
PubChem CID169105505
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane
SMILESC1CC1c1nc(C2CC3(CNC3)C2)n[nH]1
InChIInChI=1S/C11H16N4/c1-2-7(1)9-13-10(15-14-9)8-3-11(4-8)5-12-6-11/h7-8,12H,1-6H2,(H,13,14,15)
InChIKeyBEHQORPBVOIOLJ-UHFFFAOYSA-N
XLogP1.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine
CID 47003211
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride
CID 47003210
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192256
3-cyclopropyl-5-(pyrrolidin-3-ylmethyl)-4H-1,2,4-triazole
CID 65978799
3-[3-(azetidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-5-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole
CID 166083931
6-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2-azaspiro[3.3]heptane
CID 168205162
6-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptane
CID 169104469
6-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]-2-azaspiro[3.3]heptane
CID 169104734
6-[5-(3,3-difluorocyclobutyl)-1H-1,2,4-triazol-3-yl]-2-azaspiro[3.3]heptane
CID 169105600
1-[3-[3-(1-fluorocyclopropyl)-1H-1,2,4-triazol-5-yl]cyclobutyl]-N-methylmethanamine
CID 170068478
6-[[3-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazol-5-yl]methyl]-2-azaspiro[3.3]heptane
CID 170785001
piperidine, 4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]-
CID 79606456

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane (CID 169105505) is 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane is C1CC1c1nc(C2CC3(CNC3)C2)n[nH]1.
What is the InChIKey of 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane?
The InChIKey is BEHQORPBVOIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-2-7(1)9-13-10(15-14-9)8-3-11(4-8)5-12-6-11/h7-8,12H,1-6H2,(H,13,14,15).
What are the key properties of 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane?
6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane has a molecular weight of 204.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 169105505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).