3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol

C11H19N7O — CID 155560874

IUPAC3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
SMILESCn1cnc(CN(CCCO)Cc2ncn(C)n2)n1
InChIInChI=1S/C11H19N7O/c1-16-8-12-10(14-16)6-18(4-3-5-19)7-11-13-9-17(2)15-11/h8-9,19H,3-7H2,1-2H3
InChIKeyCVIOFMUJYLDOTE-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.67
Rot. Bonds7

About 3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol

3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol (PubChem CID 155560874) has the molecular formula C11H19N7O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
PubChem CID155560874
Molecular FormulaC11H19N7O
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
SMILESCn1cnc(CN(CCCO)Cc2ncn(C)n2)n1
InChIInChI=1S/C11H19N7O/c1-16-8-12-10(14-16)6-18(4-3-5-19)7-11-13-9-17(2)15-11/h8-9,19H,3-7H2,1-2H3
InChIKeyCVIOFMUJYLDOTE-UHFFFAOYSA-N
XLogP-0.67
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol (CID 155560874) is 3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol is Cn1cnc(CN(CCCO)Cc2ncn(C)n2)n1.
What is the InChIKey of 3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?
The InChIKey is CVIOFMUJYLDOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O/c1-16-8-12-10(14-16)6-18(4-3-5-19)7-11-13-9-17(2)15-11/h8-9,19H,3-7H2,1-2H3.
What are the key properties of 3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?
3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol has a molecular weight of 265.32 g/mol, XLogP of -0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[(1-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 155560874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).