N',2-diamino-1,8-naphthyridine-3-carboximidamide

C9H10N6 — CID 71400819

IUPACN',2-diamino-1,8-naphthyridine-3-carboximidamide
SMILESNN=C(N)c1cc2cccnc2nc1N
InChIInChI=1S/C9H10N6/c10-7-6(8(11)15-12)4-5-2-1-3-13-9(5)14-7/h1-4H,12H2,(H2,11,15)(H2,10,13,14)
InChIKeyPJUGICOVLHDBSO-UHFFFAOYSA-N
MW202.22 g/mol
LogP-0.21
Rot. Bonds1

About N',2-diamino-1,8-naphthyridine-3-carboximidamide

N',2-diamino-1,8-naphthyridine-3-carboximidamide (PubChem CID 71400819) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is N',2-diamino-1,8-naphthyridine-3-carboximidamide.

Molecular Properties

Compound NameN',2-diamino-1,8-naphthyridine-3-carboximidamide
PubChem CID71400819
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC NameN',2-diamino-1,8-naphthyridine-3-carboximidamide
SMILESNN=C(N)c1cc2cccnc2nc1N
InChIInChI=1S/C9H10N6/c10-7-6(8(11)15-12)4-5-2-1-3-13-9(5)14-7/h1-4H,12H2,(H2,11,15)(H2,10,13,14)
InChIKeyPJUGICOVLHDBSO-UHFFFAOYSA-N
XLogP-0.21
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',2-diamino-1,8-naphthyridine-3-carboximidamide?
The IUPAC name of N',2-diamino-1,8-naphthyridine-3-carboximidamide (CID 71400819) is N',2-diamino-1,8-naphthyridine-3-carboximidamide.
What is the SMILES notation for N',2-diamino-1,8-naphthyridine-3-carboximidamide?
The canonical SMILES for N',2-diamino-1,8-naphthyridine-3-carboximidamide is NN=C(N)c1cc2cccnc2nc1N.
What is the InChIKey of N',2-diamino-1,8-naphthyridine-3-carboximidamide?
The InChIKey is PJUGICOVLHDBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c10-7-6(8(11)15-12)4-5-2-1-3-13-9(5)14-7/h1-4H,12H2,(H2,11,15)(H2,10,13,14).
What are the key properties of N',2-diamino-1,8-naphthyridine-3-carboximidamide?
N',2-diamino-1,8-naphthyridine-3-carboximidamide has a molecular weight of 202.22 g/mol, XLogP of -0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diamino-1,8-naphthyridine-3-carboximidamide is sourced from PubChem (CID 71400819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).