N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine

C10H12N6 — CID 26975194

IUPACN-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine
SMILESC[C@@H](/C=N\Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C10H12N6/c1-8(9-5-3-2-4-6-9)7-11-12-10-13-15-16-14-10/h2-8H,1H3,(H2,12,13,14,15,16)/b11-7-/t8-/m0/s1
InChIKeyWHDGXYMSPXPCPZ-CLUBXZQOSA-N
MW216.25 g/mol
LogP1.40
Rot. Bonds4

About N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine

N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine (PubChem CID 26975194) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine
PubChem CID26975194
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC NameN-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine
SMILESC[C@@H](/C=N\Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C10H12N6/c1-8(9-5-3-2-4-6-9)7-11-12-10-13-15-16-14-10/h2-8H,1H3,(H2,12,13,14,15,16)/b11-7-/t8-/m0/s1
InChIKeyWHDGXYMSPXPCPZ-CLUBXZQOSA-N
XLogP1.40
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine
CID 6894212
4-chloro-N-(2-phenylpropylideneamino)aniline
CID 84902614
6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135530273
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4153256
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
CID 137127491
3-chloro-4-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 9069302
1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate
CID 7065258
N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
CID 7188525
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine?
The IUPAC name of N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine (CID 26975194) is N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine is C[C@@H](/C=N\Nc1nn[nH]n1)c1ccccc1.
What is the InChIKey of N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine?
The InChIKey is WHDGXYMSPXPCPZ-CLUBXZQOSA-N. The full InChI is InChI=1S/C10H12N6/c1-8(9-5-3-2-4-6-9)7-11-12-10-13-15-16-14-10/h2-8H,1H3,(H2,12,13,14,15,16)/b11-7-/t8-/m0/s1.
What are the key properties of N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine?
N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine has a molecular weight of 216.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine is sourced from PubChem (CID 26975194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).