1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol

C7H10N6O — CID 56994299

IUPAC1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESOC(Cc1ncn[nH]1)Cc1ncn[nH]1
InChIInChI=1S/C7H10N6O/c14-5(1-6-8-3-10-12-6)2-7-9-4-11-13-7/h3-5,14H,1-2H2,(H,8,10,12)(H,9,11,13)
InChIKeyLLXWTNASSKVQFA-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.93
Rot. Bonds4

About 1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol

1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol (PubChem CID 56994299) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol
PubChem CID56994299
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESOC(Cc1ncn[nH]1)Cc1ncn[nH]1
InChIInChI=1S/C7H10N6O/c14-5(1-6-8-3-10-12-6)2-7-9-4-11-13-7/h3-5,14H,1-2H2,(H,8,10,12)(H,9,11,13)
InChIKeyLLXWTNASSKVQFA-UHFFFAOYSA-N
XLogP-0.93
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol?
The IUPAC name of 1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol (CID 56994299) is 1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol?
The canonical SMILES for 1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol is OC(Cc1ncn[nH]1)Cc1ncn[nH]1.
What is the InChIKey of 1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol?
The InChIKey is LLXWTNASSKVQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c14-5(1-6-8-3-10-12-6)2-7-9-4-11-13-7/h3-5,14H,1-2H2,(H,8,10,12)(H,9,11,13).
What are the key properties of 1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol?
1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol has a molecular weight of 194.20 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1H-1,2,4-triazol-5-yl)propan-2-ol is sourced from PubChem (CID 56994299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).