3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol

C10H18N4O2 — CID 82843982

IUPAC3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1cc(CNCC2CC2)nn1
InChIInChI=1S/C10H18N4O2/c15-7-10(16)6-14-5-9(12-13-14)4-11-3-8-1-2-8/h5,8,10-11,15-16H,1-4,6-7H2
InChIKeyAYWLXWMLVYRWPU-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.87
Rot. Bonds7

About 3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol

3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol (PubChem CID 82843982) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol
PubChem CID82843982
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1cc(CNCC2CC2)nn1
InChIInChI=1S/C10H18N4O2/c15-7-10(16)6-14-5-9(12-13-14)4-11-3-8-1-2-8/h5,8,10-11,15-16H,1-4,6-7H2
InChIKeyAYWLXWMLVYRWPU-UHFFFAOYSA-N
XLogP-0.87
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol (CID 82843982) is 3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol is OCC(O)Cn1cc(CNCC2CC2)nn1.
What is the InChIKey of 3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol?
The InChIKey is AYWLXWMLVYRWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c15-7-10(16)6-14-5-9(12-13-14)4-11-3-8-1-2-8/h5,8,10-11,15-16H,1-4,6-7H2.
What are the key properties of 3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol?
3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol has a molecular weight of 226.28 g/mol, XLogP of -0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82843982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).