N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine

C13H17N5 — CID 93073274

IUPACN-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NC/C=C\c1ccccc1
InChIInChI=1S/C13H17N5/c1-2-11-18-13(15-16-17-18)14-10-6-9-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3,(H,14,15,17)/b9-6-
InChIKeyTVPJTOMXWDNNQU-TWGQIWQCSA-N
MW243.31 g/mol
LogP2.21
Rot. Bonds6

About N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine

N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine (PubChem CID 93073274) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine
PubChem CID93073274
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NC/C=C\c1ccccc1
InChIInChI=1S/C13H17N5/c1-2-11-18-13(15-16-17-18)14-10-6-9-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3,(H,14,15,17)/b9-6-
InChIKeyTVPJTOMXWDNNQU-TWGQIWQCSA-N
XLogP2.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725629
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 2978872
(E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
CID 960270
1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
CID 4726983
3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine
CID 103908973
5-[(E)-2-phenylethenyl]-1-propyltriazole-4-carbonitrile
CID 82205093
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
5-(4-methoxyphenyl)-1-methyl-N-[(E)-3-phenylprop-2-enyl]imidazol-2-amine
CID 45147014
(E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
CID 960288
(E)-3-(4-propan-2-ylphenyl)-N-[(1-propyltetrazol-5-yl)carbamothioyl]prop-2-enamide
CID 6384588
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 66542960
(Z)-3-phenyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]prop-2-en-1-amine
CID 98438129

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine (CID 93073274) is N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NC/C=C\c1ccccc1.
What is the InChIKey of N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine?
The InChIKey is TVPJTOMXWDNNQU-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-11-18-13(15-16-17-18)14-10-6-9-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3,(H,14,15,17)/b9-6-.
What are the key properties of N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine?
N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 93073274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).