[amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride

C16H17Cl2N5 — CID 172946437

IUPAC[amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride
SMILESNC(=[NH2+])c1ccc(-c2cc3ccc(C(N)=[NH2+])cc3[nH]2)cc1.[Cl-].[Cl-]
InChIInChI=1S/C16H15N5.2ClH/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13;;/h1-8,21H,(H3,17,18)(H3,19,20);2*1H
InChIKeyFPNZBYLXNYPRLR-UHFFFAOYSA-N
MW350.25 g/mol
LogP-7.23
Rot. Bonds3

About [amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride

[amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride (PubChem CID 172946437) has the molecular formula C16H17Cl2N5 and a molecular weight of 350.25 g/mol. Its IUPAC name is [amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride.

Molecular Properties

Compound Name[amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride
PubChem CID172946437
Molecular FormulaC16H17Cl2N5
Molecular Weight350.25 g/mol
Exact Mass349.09
IUPAC Name[amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride
SMILESNC(=[NH2+])c1ccc(-c2cc3ccc(C(N)=[NH2+])cc3[nH]2)cc1.[Cl-].[Cl-]
InChIInChI=1S/C16H15N5.2ClH/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13;;/h1-8,21H,(H3,17,18)(H3,19,20);2*1H
InChIKeyFPNZBYLXNYPRLR-UHFFFAOYSA-N
XLogP-7.23
TPSA119.01 Ų
H-Bond Donors5
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 5-7.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride?
The IUPAC name of [amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride (CID 172946437) is [amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride.
What is the SMILES notation for [amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride?
The canonical SMILES for [amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride is NC(=[NH2+])c1ccc(-c2cc3ccc(C(N)=[NH2+])cc3[nH]2)cc1.[Cl-].[Cl-].
What is the InChIKey of [amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride?
The InChIKey is FPNZBYLXNYPRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5.2ClH/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13;;/h1-8,21H,(H3,17,18)(H3,19,20);2*1H.
What are the key properties of [amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride?
[amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride has a molecular weight of 350.25 g/mol, XLogP of -7.23, 3 rotatable bonds, 5 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride is sourced from PubChem (CID 172946437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).