2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide

C9H16N4O2 — CID 62400159

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cc(CO)nn1
InChIInChI=1S/C9H16N4O2/c1-3-4-10-9(15)7(2)13-5-8(6-14)11-12-13/h5,7,14H,3-4,6H2,1-2H3,(H,10,15)
InChIKeyWERWDJCBPPWHIB-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.14
Rot. Bonds5

About 2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide

2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide (PubChem CID 62400159) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
PubChem CID62400159
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cc(CO)nn1
InChIInChI=1S/C9H16N4O2/c1-3-4-10-9(15)7(2)13-5-8(6-14)11-12-13/h5,7,14H,3-4,6H2,1-2H3,(H,10,15)
InChIKeyWERWDJCBPPWHIB-UHFFFAOYSA-N
XLogP-0.14
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid
CID 155552110
N-[(1S)-1-({4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}carbonyl)-3-methylbutyl]acetamide
CID 46990336
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62399774
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 80743465
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 114154227
(1-(2-Aminoethyl)-1h-1,2,3-triazol-4-yl)methanol
CID 57445100
3-[4-(Hydroxymethyl)triazol-1-yl]propanamide
CID 62401268
(3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid
CID 68989398
(3R)-3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid;hydrochloride
CID 68990007
{1-[2-(methylamino)ethyl]-1H-1,2,3-triazol-4-yl}methanol
CID 86262291
2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 115458959
[3-[4-(Hydroxymethyl)triazol-1-yl]cyclobutyl]carbamic acid
CID 118608780

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide (CID 62400159) is 2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)n1cc(CO)nn1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide?
The InChIKey is WERWDJCBPPWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-4-10-9(15)7(2)13-5-8(6-14)11-12-13/h5,7,14H,3-4,6H2,1-2H3,(H,10,15).
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide has a molecular weight of 212.25 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide is sourced from PubChem (CID 62400159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).