3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride

C15H17Cl2N7O — CID 127048712

IUPAC3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1nc(Cl)c(NC2Cc3ccccc3C2)nc1N
InChIInChI=1S/C15H16ClN7O.ClH/c16-11-13(20-9-5-7-3-1-2-4-8(7)6-9)22-12(17)10(21-11)14(24)23-15(18)19;/h1-4,9H,5-6H2,(H3,17,20,22)(H4,18,19,23,24);1H
InChIKeyAYEPJMXTCIXOSH-UHFFFAOYSA-N
MW382.26 g/mol
LogP1.13
Rot. Bonds3

About 3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride

3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride (PubChem CID 127048712) has the molecular formula C15H17Cl2N7O and a molecular weight of 382.26 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride
PubChem CID127048712
Molecular FormulaC15H17Cl2N7O
Molecular Weight382.26 g/mol
Exact Mass381.09
IUPAC Name3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1nc(Cl)c(NC2Cc3ccccc3C2)nc1N
InChIInChI=1S/C15H16ClN7O.ClH/c16-11-13(20-9-5-7-3-1-2-4-8(7)6-9)22-12(17)10(21-11)14(24)23-15(18)19;/h1-4,9H,5-6H2,(H3,17,20,22)(H4,18,19,23,24);1H
InChIKeyAYEPJMXTCIXOSH-UHFFFAOYSA-N
XLogP1.13
TPSA145.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 108107
Benzamil hydrochloride
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3,5-Diamino-6-chloro-N-(N-phenethylcarbamimidoyl)pyrazine-2-carboxamide
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[(2S)-1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-3-phenylpropan-2-yl]-trimethylazanium iodide
CID 70685425
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N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N''-(3-phenylpropyl)guanidine
CID 11646675
N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N''-(5-phenylpentyl)guanidine
CID 11661541
N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N''-(8-phenyloctyl)guanidine
CID 11719431
N-(2,3-dihydro-1H-inden-2-yl)-6-(ethyl(methyl)amino)pyrazine-2-carboxamide
CID 44438592
3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide;hydrochloride
CID 57394420
3-amino-5-(benzylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
CID 57399648

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride (CID 127048712) is 3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1nc(Cl)c(NC2Cc3ccccc3C2)nc1N.
What is the InChIKey of 3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride?
The InChIKey is AYEPJMXTCIXOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O.ClH/c16-11-13(20-9-5-7-3-1-2-4-8(7)6-9)22-12(17)10(21-11)14(24)23-15(18)19;/h1-4,9H,5-6H2,(H3,17,20,22)(H4,18,19,23,24);1H.
What are the key properties of 3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride?
3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride has a molecular weight of 382.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-(diaminomethylidene)-5-(2,3-dihydro-1H-inden-2-ylamino)pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 127048712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).