N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide

C13H18N4O2 — CID 54916380

IUPACN-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H18N4O2/c1-9(2)17(6-3-7-18)13(19)10-4-5-11-12(8-10)15-16-14-11/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,14,15,16)
InChIKeyDJGHUZCUEHUCHG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.19
Rot. Bonds5

About N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide

N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide (PubChem CID 54916380) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide
PubChem CID54916380
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H18N4O2/c1-9(2)17(6-3-7-18)13(19)10-4-5-11-12(8-10)15-16-14-11/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,14,15,16)
InChIKeyDJGHUZCUEHUCHG-UHFFFAOYSA-N
XLogP1.19
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2H-benzotriazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60825852
N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide
CID 62875387
N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 60740284
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-6-carboxamide
CID 55229836
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
CID 62850042
2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 114326149
3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54917139
2-[2H-benzotriazole-5-carbonyl(methyl)amino]propanoic acid
CID 62626737
N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide
CID 54916378

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide (CID 54916380) is N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide is CC(C)N(CCCO)C(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide?
The InChIKey is DJGHUZCUEHUCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)17(6-3-7-18)13(19)10-4-5-11-12(8-10)15-16-14-11/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide?
N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 54916380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).