3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol

C14H18N4O — CID 106129278

IUPAC3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2nnc3ccccc3n2)C1
InChIInChI=1S/C14H18N4O/c19-11-5-3-4-10(8-11)9-15-14-16-12-6-1-2-7-13(12)17-18-14/h1-2,6-7,10-11,19H,3-5,8-9H2,(H,15,16,18)
InChIKeyOCTXBQKSWNDKQG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.99
Rot. Bonds3

About 3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol

3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol (PubChem CID 106129278) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol
PubChem CID106129278
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2nnc3ccccc3n2)C1
InChIInChI=1S/C14H18N4O/c19-11-5-3-4-10(8-11)9-15-14-16-12-6-1-2-7-13(12)17-18-14/h1-2,6-7,10-11,19H,3-5,8-9H2,(H,15,16,18)
InChIKeyOCTXBQKSWNDKQG-UHFFFAOYSA-N
XLogP1.99
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]-1,2,4-benzotriazin-3-amine
CID 114146607
N-(oxan-3-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 103204139
3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138447
3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106136822
5-[(1,2,4-benzotriazin-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 103203816
N-(1,2,4-benzotriazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 103204297
N'-(1,2,4-benzotriazin-3-yl)-N-cycloheptylethane-1,2-diamine
CID 103204756
3-[[(5-nitro-1,3-benzoxazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106136778
N-(cyclopentylmethyl)quinazolin-2-amine
CID 114788866
N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine
CID 114146705
3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138427
6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide
CID 103715279

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol (CID 106129278) is 3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol is OC1CCCC(CNc2nnc3ccccc3n2)C1.
What is the InChIKey of 3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is OCTXBQKSWNDKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-11-5-3-4-10(8-11)9-15-14-16-12-6-1-2-7-13(12)17-18-14/h1-2,6-7,10-11,19H,3-5,8-9H2,(H,15,16,18).
What are the key properties of 3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol?
3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106129278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).