4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane

C14H24N4 — CID 176515401

IUPAC4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
SMILESCCCn1cnnc1C1CNCC12CCCCC2
InChIInChI=1S/C14H24N4/c1-2-8-18-11-16-17-13(18)12-9-15-10-14(12)6-4-3-5-7-14/h11-12,15H,2-10H2,1H3
InChIKeyVRNRFHSTLHPDEK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.33
Rot. Bonds3

About 4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane

4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane (PubChem CID 176515401) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
PubChem CID176515401
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
SMILESCCCn1cnnc1C1CNCC12CCCCC2
InChIInChI=1S/C14H24N4/c1-2-8-18-11-16-17-13(18)12-9-15-10-14(12)6-4-3-5-7-14/h11-12,15H,2-10H2,1H3
InChIKeyVRNRFHSTLHPDEK-UHFFFAOYSA-N
XLogP2.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane
CID 172908923
(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 94552646
2-(4-propyl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 104523038
3-(oxolan-2-yl)-4-propyl-1,2,4-triazole
CID 115394978
1-[4-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane-6-carbonyl]piperidin-1-yl]ethanone
CID 155882424
(3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 155882242
3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594
3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine
CID 82909389
2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 146069117
3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
CID 79316888
4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-N-ethyl-2-azaspiro[4.5]decane-2-carboxamide
CID 146067774
(8R)-8-(2-ethylpyrazol-3-yl)-6-azaspiro[3.4]octane
CID 125450720

Frequently Asked Questions

What is the IUPAC name of 4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane?
The IUPAC name of 4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane (CID 176515401) is 4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane?
The canonical SMILES for 4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane is CCCn1cnnc1C1CNCC12CCCCC2.
What is the InChIKey of 4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane?
The InChIKey is VRNRFHSTLHPDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-8-18-11-16-17-13(18)12-9-15-10-14(12)6-4-3-5-7-14/h11-12,15H,2-10H2,1H3.
What are the key properties of 4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane?
4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane has a molecular weight of 248.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propyl-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 176515401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).