2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide

C19H30N6O2 — CID 169414015

IUPAC2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide
SMILESCC1CN(C(=O)C2CCC(NC(=O)Cc3nc(N)n[nH]3)CC2)CC2(CC2)C1
InChIInChI=1S/C19H30N6O2/c1-12-9-19(6-7-19)11-25(10-12)17(27)13-2-4-14(5-3-13)21-16(26)8-15-22-18(20)24-23-15/h12-14H,2-11H2,1H3,(H,21,26)(H3,20,22,23,24)
InChIKeyGKUXDFIIQHNWEH-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.25
Rot. Bonds4

About 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide

2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide (PubChem CID 169414015) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide
PubChem CID169414015
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide
SMILESCC1CN(C(=O)C2CCC(NC(=O)Cc3nc(N)n[nH]3)CC2)CC2(CC2)C1
InChIInChI=1S/C19H30N6O2/c1-12-9-19(6-7-19)11-25(10-12)17(27)13-2-4-14(5-3-13)21-16(26)8-15-22-18(20)24-23-15/h12-14H,2-11H2,1H3,(H,21,26)(H3,20,22,23,24)
InChIKeyGKUXDFIIQHNWEH-UHFFFAOYSA-N
XLogP1.25
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide?
The IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide (CID 169414015) is 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide is CC1CN(C(=O)C2CCC(NC(=O)Cc3nc(N)n[nH]3)CC2)CC2(CC2)C1.
What is the InChIKey of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide?
The InChIKey is GKUXDFIIQHNWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-12-9-19(6-7-19)11-25(10-12)17(27)13-2-4-14(5-3-13)21-16(26)8-15-22-18(20)24-23-15/h12-14H,2-11H2,1H3,(H,21,26)(H3,20,22,23,24).
What are the key properties of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide?
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[4-(7-methyl-5-azaspiro[2.5]octane-5-carbonyl)cyclohexyl]acetamide is sourced from PubChem (CID 169414015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).