3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol

C9H19N5O — CID 103705100

IUPAC3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nnnn1C
InChIInChI=1S/C9H19N5O/c1-3-4-8(5-6-15)7-10-9-11-12-13-14(9)2/h8,15H,3-7H2,1-2H3,(H,10,11,13)
InChIKeyVCDDEELFRJHZCB-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.42
Rot. Bonds7

About 3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol

3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol (PubChem CID 103705100) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol
PubChem CID103705100
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nnnn1C
InChIInChI=1S/C9H19N5O/c1-3-4-8(5-6-15)7-10-9-11-12-13-14(9)2/h8,15H,3-7H2,1-2H3,(H,10,11,13)
InChIKeyVCDDEELFRJHZCB-UHFFFAOYSA-N
XLogP0.42
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol (CID 103705100) is 3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nnnn1C.
What is the InChIKey of 3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol?
The InChIKey is VCDDEELFRJHZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-3-4-8(5-6-15)7-10-9-11-12-13-14(9)2/h8,15H,3-7H2,1-2H3,(H,10,11,13).
What are the key properties of 3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol?
3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methyltetrazol-5-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 103705100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).