[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone

C20H26N6O — CID 146071709

IUPAC[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CC(c2nncn2CC2CC2)C2(CCCCC2)C1
InChIInChI=1S/C20H26N6O/c27-19(16-8-21-13-22-9-16)25-11-17(20(12-25)6-2-1-3-7-20)18-24-23-14-26(18)10-15-4-5-15/h8-9,13-15,17H,1-7,10-12H2
InChIKeyIPPAVHKQWLPRTM-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.67
Rot. Bonds4

About [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone

[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone (PubChem CID 146071709) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone
PubChem CID146071709
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CC(c2nncn2CC2CC2)C2(CCCCC2)C1
InChIInChI=1S/C20H26N6O/c27-19(16-8-21-13-22-9-16)25-11-17(20(12-25)6-2-1-3-7-20)18-24-23-14-26(18)10-15-4-5-15/h8-9,13-15,17H,1-7,10-12H2
InChIKeyIPPAVHKQWLPRTM-UHFFFAOYSA-N
XLogP2.67
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 146067753
2-(azepan-1-yl)-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]ethanone
CID 146067797
[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]-(3-methylimidazol-4-yl)methanone
CID 155882297
4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-N-ethyl-2-azaspiro[4.5]decane-2-carboxamide
CID 146067774
[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]-(3-methyl-2-pyridinyl)methanone
CID 155882507
3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one
CID 155881139
2-cyclohexyl-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 146067696
1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone
CID 146071715
[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone
CID 146067687
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone
CID 155882224
(3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 155882242
[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylpyrrol-2-yl)methanone
CID 155880426

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone (CID 146071709) is [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone is O=C(c1cncnc1)N1CC(c2nncn2CC2CC2)C2(CCCCC2)C1.
What is the InChIKey of [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone?
The InChIKey is IPPAVHKQWLPRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-19(16-8-21-13-22-9-16)25-11-17(20(12-25)6-2-1-3-7-20)18-24-23-14-26(18)10-15-4-5-15/h8-9,13-15,17H,1-7,10-12H2.
What are the key properties of [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone?
[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone has a molecular weight of 366.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 146071709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).