N,4-diamino-N-methylpiperazine-1-carboximidamide

C6H16N6 — CID 143646511

IUPACN,4-diamino-N-methylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N(C)N)N1CCN(N)CC1
InChIInChI=1S/C6H16N6/c1-10(8)6(7)11-2-4-12(9)5-3-11/h7H,2-5,8-9H2,1H3/b7-6+
InChIKeyISVIJFUZTFXJHC-VOTSOKGWSA-N
MW172.24 g/mol
LogP-1.78
Rot. Bonds

About N,4-diamino-N-methylpiperazine-1-carboximidamide

N,4-diamino-N-methylpiperazine-1-carboximidamide (PubChem CID 143646511) has the molecular formula C6H16N6 and a molecular weight of 172.24 g/mol. Its IUPAC name is N,4-diamino-N-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN,4-diamino-N-methylpiperazine-1-carboximidamide
PubChem CID143646511
Molecular FormulaC6H16N6
Molecular Weight172.24 g/mol
Exact Mass172.14
IUPAC NameN,4-diamino-N-methylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N(C)N)N1CCN(N)CC1
InChIInChI=1S/C6H16N6/c1-10(8)6(7)11-2-4-12(9)5-3-11/h7H,2-5,8-9H2,1H3/b7-6+
InChIKeyISVIJFUZTFXJHC-VOTSOKGWSA-N
XLogP-1.78
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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,4-diamino-N-methylpiperazine-1-carboximidamide?
The IUPAC name of N,4-diamino-N-methylpiperazine-1-carboximidamide (CID 143646511) is N,4-diamino-N-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N,4-diamino-N-methylpiperazine-1-carboximidamide?
The canonical SMILES for N,4-diamino-N-methylpiperazine-1-carboximidamide is [H]/N=C(\N(C)N)N1CCN(N)CC1.
What is the InChIKey of N,4-diamino-N-methylpiperazine-1-carboximidamide?
The InChIKey is ISVIJFUZTFXJHC-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H16N6/c1-10(8)6(7)11-2-4-12(9)5-3-11/h7H,2-5,8-9H2,1H3/b7-6+.
What are the key properties of N,4-diamino-N-methylpiperazine-1-carboximidamide?
N,4-diamino-N-methylpiperazine-1-carboximidamide has a molecular weight of 172.24 g/mol, XLogP of -1.78, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diamino-N-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 143646511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).