3-[4-(hydroxymethyl)triazol-1-yl]propanamide

C6H10N4O2 — CID 62401268

IUPAC3-[4-(hydroxymethyl)triazol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CO)nn1
InChIInChI=1S/C6H10N4O2/c7-6(12)1-2-10-3-5(4-11)8-9-10/h3,11H,1-2,4H2,(H2,7,12)
InChIKeyVRANFTVSECRAEM-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.35
Rot. Bonds4

About 3-[4-(hydroxymethyl)triazol-1-yl]propanamide

3-[4-(hydroxymethyl)triazol-1-yl]propanamide (PubChem CID 62401268) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)triazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)triazol-1-yl]propanamide
PubChem CID62401268
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-[4-(hydroxymethyl)triazol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CO)nn1
InChIInChI=1S/C6H10N4O2/c7-6(12)1-2-10-3-5(4-11)8-9-10/h3,11H,1-2,4H2,(H2,7,12)
InChIKeyVRANFTVSECRAEM-UHFFFAOYSA-N
XLogP-1.35
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)propan-1-ol
CID 62401663
(1-ethyl-1H-1,2,3-triazol-4-yl)methanol
CID 12654351
(2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid
CID 155552110
[1-(3-aminopropyl)-1H-1,2,3-triazol-4-yl]methanol
CID 62400531
(1-(propan-2-yl)-1H-1,2,3-triazol-4-yl)methanol
CID 62402024
(1-(pyrrolidin-3-yl)-1H-1,2,3-triazol-4-yl)methanol
CID 86262648
[1-(3-aminopropyl)-1H-1,2,3-triazol-4-yl]methanol dihydrochloride
CID 165692010
[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]methanol dihydrochloride
CID 167727531
1-Butyl-1H-1,2,3-triazole-4-methanol
CID 12654353
4-Hydroxymethyl-1-propyl-1,2,3-triazole
CID 22938752
3-[4-(Hydroxymethyl)triazol-1-yl]propyl sulfite
CID 139211409
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62399774

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)triazol-1-yl]propanamide?
The IUPAC name of 3-[4-(hydroxymethyl)triazol-1-yl]propanamide (CID 62401268) is 3-[4-(hydroxymethyl)triazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)triazol-1-yl]propanamide?
The canonical SMILES for 3-[4-(hydroxymethyl)triazol-1-yl]propanamide is NC(=O)CCn1cc(CO)nn1.
What is the InChIKey of 3-[4-(hydroxymethyl)triazol-1-yl]propanamide?
The InChIKey is VRANFTVSECRAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-6(12)1-2-10-3-5(4-11)8-9-10/h3,11H,1-2,4H2,(H2,7,12).
What are the key properties of 3-[4-(hydroxymethyl)triazol-1-yl]propanamide?
3-[4-(hydroxymethyl)triazol-1-yl]propanamide has a molecular weight of 170.17 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)triazol-1-yl]propanamide is sourced from PubChem (CID 62401268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).