(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol

C11H14N4O — CID 170633763

IUPAC(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol
SMILESC/N=C/C(=C\N)c1ccc(/C(N)=C/O)nc1
InChIInChI=1S/C11H14N4O/c1-14-5-9(4-12)8-2-3-11(15-6-8)10(13)7-16/h2-7,16H,12-13H2,1H3/b9-4+,10-7-,14-5+
InChIKeyAARSTUHUBMGJHF-YWQKXOJUSA-N
MW218.26 g/mol
LogP0.90
Rot. Bonds3

About (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol

(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol (PubChem CID 170633763) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol.

Molecular Properties

Compound Name(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol
PubChem CID170633763
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol
SMILESC/N=C/C(=C\N)c1ccc(/C(N)=C/O)nc1
InChIInChI=1S/C11H14N4O/c1-14-5-9(4-12)8-2-3-11(15-6-8)10(13)7-16/h2-7,16H,12-13H2,1H3/b9-4+,10-7-,14-5+
InChIKeyAARSTUHUBMGJHF-YWQKXOJUSA-N
XLogP0.90
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyridine-2-carboxylic acid
CID 143834642
(3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one
CID 176524176
3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine
CID 174041792
(Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine
CID 178171862
N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 157355412
(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine
CID 170714570
7-(1-amino-3-methyliminoprop-1-en-2-yl)-N-pyridin-3-yl-1,5-naphthyridin-2-amine
CID 144666582
(Z)-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 174335026
3-methylimino-2-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-1-en-1-amine
CID 174090791
4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 156661924
(Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine
CID 168926633
(Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine
CID 176991225

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol?
The IUPAC name of (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol (CID 170633763) is (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol.
What is the SMILES notation for (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol?
The canonical SMILES for (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol is C/N=C/C(=C\N)c1ccc(/C(N)=C/O)nc1.
What is the InChIKey of (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol?
The InChIKey is AARSTUHUBMGJHF-YWQKXOJUSA-N. The full InChI is InChI=1S/C11H14N4O/c1-14-5-9(4-12)8-2-3-11(15-6-8)10(13)7-16/h2-7,16H,12-13H2,1H3/b9-4+,10-7-,14-5+.
What are the key properties of (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol?
(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol has a molecular weight of 218.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol is sourced from PubChem (CID 170633763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).