(1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol

C9H13N5O — CID 65363338

IUPAC(1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCCCn1ccnc1C(O)c1ncn[nH]1
InChIInChI=1S/C9H13N5O/c1-2-4-14-5-3-10-9(14)7(15)8-11-6-12-13-8/h3,5-7,15H,2,4H2,1H3,(H,11,12,13)
InChIKeyDLBCIAOKHQAKJC-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.49
Rot. Bonds4

About (1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol

(1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 65363338) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is (1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
PubChem CID65363338
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name(1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCCCn1ccnc1C(O)c1ncn[nH]1
InChIInChI=1S/C9H13N5O/c1-2-4-14-5-3-10-9(14)7(15)8-11-6-12-13-8/h3,5-7,15H,2,4H2,1H3,(H,11,12,13)
InChIKeyDLBCIAOKHQAKJC-UHFFFAOYSA-N
XLogP0.49
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol (CID 65363338) is (1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol is CCCn1ccnc1C(O)c1ncn[nH]1.
What is the InChIKey of (1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is DLBCIAOKHQAKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-2-4-14-5-3-10-9(14)7(15)8-11-6-12-13-8/h3,5-7,15H,2,4H2,1H3,(H,11,12,13).
What are the key properties of (1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol?
(1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 207.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 65363338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).