N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

C14H15N7S — CID 143465174

IUPACN-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESC/C=N\S/C(=C\C)Nc1nccn2c(-c3cn[nH]c3)cnc12
InChIInChI=1S/C14H15N7S/c1-3-12(22-19-4-2)20-13-14-16-9-11(10-7-17-18-8-10)21(14)6-5-15-13/h3-9H,1-2H3,(H,15,20)(H,17,18)/b12-3-,19-4-
InChIKeyMGAXVSNLSNEPAG-RVUONDBLSA-N
MW313.39 g/mol
LogP3.13
Rot. Bonds5

About N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143465174) has the molecular formula C14H15N7S and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID143465174
Molecular FormulaC14H15N7S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESC/C=N\S/C(=C\C)Nc1nccn2c(-c3cn[nH]c3)cnc12
InChIInChI=1S/C14H15N7S/c1-3-12(22-19-4-2)20-13-14-16-9-11(10-7-17-18-8-10)21(14)6-5-15-13/h3-9H,1-2H3,(H,15,20)(H,17,18)/b12-3-,19-4-
InChIKeyMGAXVSNLSNEPAG-RVUONDBLSA-N
XLogP3.13
TPSA83.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 143465174) is N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is C/C=N\S/C(=C\C)Nc1nccn2c(-c3cn[nH]c3)cnc12.
What is the InChIKey of N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is MGAXVSNLSNEPAG-RVUONDBLSA-N. The full InChI is InChI=1S/C14H15N7S/c1-3-12(22-19-4-2)20-13-14-16-9-11(10-7-17-18-8-10)21(14)6-5-15-13/h3-9H,1-2H3,(H,15,20)(H,17,18)/b12-3-,19-4-.
What are the key properties of N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 313.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[(Z)-ethylideneamino]sulfanylprop-1-enyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143465174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).