3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol

C14H21N5O — CID 56785968

IUPAC3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol
SMILESCCCn1nnnc1CN(C)C(C)c1cccc(O)c1
InChIInChI=1S/C14H21N5O/c1-4-8-19-14(15-16-17-19)10-18(3)11(2)12-6-5-7-13(20)9-12/h5-7,9,11,20H,4,8,10H2,1-3H3
InChIKeyZUVQQJAOEFCBFN-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.98
Rot. Bonds6

About 3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol

3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol (PubChem CID 56785968) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol
PubChem CID56785968
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol
SMILESCCCn1nnnc1CN(C)C(C)c1cccc(O)c1
InChIInChI=1S/C14H21N5O/c1-4-8-19-14(15-16-17-19)10-18(3)11(2)12-6-5-7-13(20)9-12/h5-7,9,11,20H,4,8,10H2,1-3H3
InChIKeyZUVQQJAOEFCBFN-UHFFFAOYSA-N
XLogP1.98
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol?
The IUPAC name of 3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol (CID 56785968) is 3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol?
The canonical SMILES for 3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol is CCCn1nnnc1CN(C)C(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol?
The InChIKey is ZUVQQJAOEFCBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-8-19-14(15-16-17-19)10-18(3)11(2)12-6-5-7-13(20)9-12/h5-7,9,11,20H,4,8,10H2,1-3H3.
What are the key properties of 3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol?
3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol has a molecular weight of 275.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]ethyl]phenol is sourced from PubChem (CID 56785968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).