N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide

C11H20N6O — CID 122564730

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)NCc2nc(N)n[nH]2)C1
InChIInChI=1S/C11H20N6O/c1-8-3-2-4-17(6-8)7-10(18)13-5-9-14-11(12)16-15-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15,16)
InChIKeyNQPJREZNJYNCSQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.26
Rot. Bonds4

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 122564730) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID122564730
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)NCc2nc(N)n[nH]2)C1
InChIInChI=1S/C11H20N6O/c1-8-3-2-4-17(6-8)7-10(18)13-5-9-14-11(12)16-15-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15,16)
InChIKeyNQPJREZNJYNCSQ-UHFFFAOYSA-N
XLogP-0.26
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
(2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
CID 125438070
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
CID 125438071
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 91792073
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-(3-hydroxypiperidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 86283968
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 122567549
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide (CID 122564730) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)NCc2nc(N)n[nH]2)C1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is NQPJREZNJYNCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-8-3-2-4-17(6-8)7-10(18)13-5-9-14-11(12)16-15-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15,16).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 122564730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).