2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C16H25N5O — CID 70756685

IUPAC2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCn1cnnc1CN1CCC2(CCC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C16H25N5O/c1-19-12-17-18-14(19)10-20-8-6-16(7-9-20)5-4-15(22)21(11-16)13-2-3-13/h12-13H,2-11H2,1H3
InChIKeyQUASZTPARDLRGZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.18
Rot. Bonds3

About 2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70756685) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70756685
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCn1cnnc1CN1CCC2(CCC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C16H25N5O/c1-19-12-17-18-14(19)10-20-8-6-16(7-9-20)5-4-15(22)21(11-16)13-2-3-13/h12-13H,2-11H2,1H3
InChIKeyQUASZTPARDLRGZ-UHFFFAOYSA-N
XLogP1.18
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70756685) is 2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cn1cnnc1CN1CCC2(CCC(=O)N(C3CC3)C2)CC1.
What is the InChIKey of 2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QUASZTPARDLRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-19-12-17-18-14(19)10-20-8-6-16(7-9-20)5-4-15(22)21(11-16)13-2-3-13/h12-13H,2-11H2,1H3.
What are the key properties of 2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 303.41 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70756685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).