1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol

C13H19N5O — CID 79389793

IUPAC1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5O/c1-4-17(10-13(2,3)19)12-14-15-16-18(12)11-8-6-5-7-9-11/h5-9,19H,4,10H2,1-3H3
InChIKeyMHSKORFYNAPENE-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.26
Rot. Bonds5

About 1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol

1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol (PubChem CID 79389793) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol
PubChem CID79389793
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5O/c1-4-17(10-13(2,3)19)12-14-15-16-18(12)11-8-6-5-7-9-11/h5-9,19H,4,10H2,1-3H3
InChIKeyMHSKORFYNAPENE-UHFFFAOYSA-N
XLogP1.26
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
CID 63392081
3-[ethyl-(1-phenyltetrazol-5-yl)amino]propanethioamide
CID 54992501
N-(2-chloroethyl)-1-phenyl-N-propyltetrazol-5-amine
CID 55184250
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
4-[2,2-bis(1-phenyltetrazol-5-yl)ethenyl]-N,N-diethylaniline
CID 2886623
2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid
CID 43656375
N-(2-bromoethyl)-N-pentan-3-yl-1-phenyltetrazol-5-amine
CID 80680534
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 55090772
N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
CID 167971120
2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
CID 106186033
2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 62637944
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol (CID 79389793) is 1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nnnn1-c1ccccc1.
What is the InChIKey of 1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol?
The InChIKey is MHSKORFYNAPENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-17(10-13(2,3)19)12-14-15-16-18(12)11-8-6-5-7-9-11/h5-9,19H,4,10H2,1-3H3.
What are the key properties of 1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol?
1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol has a molecular weight of 261.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).