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

C8H17N5O — CID 63719018

IUPAC3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nnnn1C
InChIInChI=1S/C8H17N5O/c1-4-8(14,5-2)6-9-7-10-11-12-13(7)3/h14H,4-6H2,1-3H3,(H,9,10,12)
InChIKeyCEPCGYXNIOGHNV-UHFFFAOYSA-N
MW199.26 g/mol
LogP0.17
Rot. Bonds5

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

3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol (PubChem CID 63719018) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol
PubChem CID63719018
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nnnn1C
InChIInChI=1S/C8H17N5O/c1-4-8(14,5-2)6-9-7-10-11-12-13(7)3/h14H,4-6H2,1-3H3,(H,9,10,12)
InChIKeyCEPCGYXNIOGHNV-UHFFFAOYSA-N
XLogP0.17
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 50.17
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]pentan-3-ol?
The IUPAC name of 3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol (CID 63719018) is 3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1nnnn1C.
What is the InChIKey of 3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol?
The InChIKey is CEPCGYXNIOGHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-4-8(14,5-2)6-9-7-10-11-12-13(7)3/h14H,4-6H2,1-3H3,(H,9,10,12).
What are the key properties of 3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol?
3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol has a molecular weight of 199.26 g/mol, XLogP of 0.17, 5 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]pentan-3-ol is sourced from PubChem (CID 63719018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).