1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol

C8H17N5O — CID 107057608

IUPAC1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)Cc1nnn(C)n1
InChIInChI=1S/C8H17N5O/c1-3-4-9-6-7(14)5-8-10-12-13(2)11-8/h7,9,14H,3-6H2,1-2H3
InChIKeyHQJBCXKVMFBAOA-UHFFFAOYSA-N
MW199.26 g/mol
LogP-0.89
Rot. Bonds6

About 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol

1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol (PubChem CID 107057608) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol
PubChem CID107057608
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)Cc1nnn(C)n1
InChIInChI=1S/C8H17N5O/c1-3-4-9-6-7(14)5-8-10-12-13(2)11-8/h7,9,14H,3-6H2,1-2H3
InChIKeyHQJBCXKVMFBAOA-UHFFFAOYSA-N
XLogP-0.89
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyltetrazol-5-yl)methyl]-N-propylbutan-1-amine
CID 107052925
3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
CID 107053280
1-(2-methyltetrazol-5-yl)octan-2-ol
CID 107046019
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047966
1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047829
1-butan-2-ylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047831
4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107046551
2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107043216
N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107053527
1-(2-methyltetrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 107047760
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107065829
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol (CID 107057608) is 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol is CCCNCC(O)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol?
The InChIKey is HQJBCXKVMFBAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-3-4-9-6-7(14)5-8-10-12-13(2)11-8/h7,9,14H,3-6H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol?
1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol has a molecular weight of 199.26 g/mol, XLogP of -0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 107057608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).