2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone

C15H17N7O2 — CID 154837451

IUPAC2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCCC(n2cc(CO)nn2)C1
InChIInChI=1S/C15H17N7O2/c23-9-11-7-22(20-16-11)12-2-1-5-21(8-12)15(24)10-3-4-13-14(6-10)18-19-17-13/h3-4,6-7,12,23H,1-2,5,8-9H2,(H,17,18,19)
InChIKeyYZWPTRCWKHDDJM-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.52
Rot. Bonds3

About 2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone

2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 154837451) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID154837451
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCCC(n2cc(CO)nn2)C1
InChIInChI=1S/C15H17N7O2/c23-9-11-7-22(20-16-11)12-2-1-5-21(8-12)15(24)10-3-4-13-14(6-10)18-19-17-13/h3-4,6-7,12,23H,1-2,5,8-9H2,(H,17,18,19)
InChIKeyYZWPTRCWKHDDJM-UHFFFAOYSA-N
XLogP0.52
TPSA112.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2H-benzotriazol-5-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
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2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
2H-benzotriazol-5-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343023
2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343024
[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
CID 129344711
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
2,1,3-benzothiadiazol-5-yl-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190446
[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91908519
[3-[4-(aminomethyl)triazol-1-yl]pyrrolidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 166398435
6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124963530
2H-benzotriazol-5-yl-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94821961

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone (CID 154837451) is 2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone is O=C(c1ccc2n[nH]nc2c1)N1CCCC(n2cc(CO)nn2)C1.
What is the InChIKey of 2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is YZWPTRCWKHDDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c23-9-11-7-22(20-16-11)12-2-1-5-21(8-12)15(24)10-3-4-13-14(6-10)18-19-17-13/h3-4,6-7,12,23H,1-2,5,8-9H2,(H,17,18,19).
What are the key properties of 2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 327.35 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 154837451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).