1,3-bis(triazol-1-yl)propan-2-ol

C7H10N6O — CID 142630922

IUPAC1,3-bis(triazol-1-yl)propan-2-ol
SMILESOC(Cn1ccnn1)Cn1ccnn1
InChIInChI=1S/C7H10N6O/c14-7(5-12-3-1-8-10-12)6-13-4-2-9-11-13/h1-4,7,14H,5-6H2
InChIKeyMGJJEZDGADYVGK-UHFFFAOYSA-N
MW194.20 g/mol
LogP-1.07
Rot. Bonds4

About 1,3-bis(triazol-1-yl)propan-2-ol

1,3-bis(triazol-1-yl)propan-2-ol (PubChem CID 142630922) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 1,3-bis(triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(triazol-1-yl)propan-2-ol
PubChem CID142630922
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name1,3-bis(triazol-1-yl)propan-2-ol
SMILESOC(Cn1ccnn1)Cn1ccnn1
InChIInChI=1S/C7H10N6O/c14-7(5-12-3-1-8-10-12)6-13-4-2-9-11-13/h1-4,7,14H,5-6H2
InChIKeyMGJJEZDGADYVGK-UHFFFAOYSA-N
XLogP-1.07
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

rac-(3R,4R)-4-(1H-1,2,3-triazol-1-yl)pyrrolidin-3-ol
CID 67820055
1-fluoro-3-(1H-1,2,3-triazol-1-yl)propan-2-ol
CID 165600796
1,3-Bis[4-(pentafluoro-lambda6-sulfanyl)triazol-1-yl]propan-2-ol
CID 177415207
1-amino-3-(1H-1,2,3-triazol-1-yl)propan-2-ol
CID 18765667
4-(1H-1,2,3-triazol-1-yl)pyrrolidin-3-ol
CID 19006007
3-(Triazol-1-yl)butan-2-ol
CID 21759550
1-(Triazol-1-yl)propan-2-ol
CID 22114362
1-(Triazol-1-yl)butan-2-ol
CID 22122378
(3S,4S)-4-(1H-1,2,3-Triazol-1-yl)pyrrolidin-3-ol
CID 45083067
(2R)-1-(triazol-1-yl)butan-2-ol
CID 59990746
(2S)-1-(triazol-1-yl)butan-2-ol
CID 59990749
2,4-Bis(triazol-1-yl)butan-2-ol
CID 67393140

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(triazol-1-yl)propan-2-ol?
The IUPAC name of 1,3-bis(triazol-1-yl)propan-2-ol (CID 142630922) is 1,3-bis(triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,3-bis(triazol-1-yl)propan-2-ol?
The canonical SMILES for 1,3-bis(triazol-1-yl)propan-2-ol is OC(Cn1ccnn1)Cn1ccnn1.
What is the InChIKey of 1,3-bis(triazol-1-yl)propan-2-ol?
The InChIKey is MGJJEZDGADYVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c14-7(5-12-3-1-8-10-12)6-13-4-2-9-11-13/h1-4,7,14H,5-6H2.
What are the key properties of 1,3-bis(triazol-1-yl)propan-2-ol?
1,3-bis(triazol-1-yl)propan-2-ol has a molecular weight of 194.20 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(triazol-1-yl)propan-2-ol is sourced from PubChem (CID 142630922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).