(3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine

C13H27N11 — CID 140519096

IUPAC(3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESNNc1nc(N2C[C@H](N)C[C@@H](N)C2)nc(N2C[C@H](N)C[C@@H](N)C2)n1
InChIInChI=1S/C13H27N11/c14-7-1-8(15)4-23(3-7)12-19-11(22-18)20-13(21-12)24-5-9(16)2-10(17)6-24/h7-10H,1-6,14-18H2,(H,19,20,21,22)/t7-,8-,9-,10-/m1/s1
InChIKeyFPSUDZDIIPUWEV-ZYUZMQFOSA-N
MW337.44 g/mol
LogP-3.11
Rot. Bonds3

About (3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine

(3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine (PubChem CID 140519096) has the molecular formula C13H27N11 and a molecular weight of 337.44 g/mol. Its IUPAC name is (3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine.

Molecular Properties

Compound Name(3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine
PubChem CID140519096
Molecular FormulaC13H27N11
Molecular Weight337.44 g/mol
Exact Mass337.25
IUPAC Name(3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESNNc1nc(N2C[C@H](N)C[C@@H](N)C2)nc(N2C[C@H](N)C[C@@H](N)C2)n1
InChIInChI=1S/C13H27N11/c14-7-1-8(15)4-23(3-7)12-19-11(22-18)20-13(21-12)24-5-9(16)2-10(17)6-24/h7-10H,1-6,14-18H2,(H,19,20,21,22)/t7-,8-,9-,10-/m1/s1
InChIKeyFPSUDZDIIPUWEV-ZYUZMQFOSA-N
XLogP-3.11
TPSA187.28 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500337.44
LogP ≤ 5-3.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The IUPAC name of (3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine (CID 140519096) is (3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine.
What is the SMILES notation for (3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The canonical SMILES for (3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine is NNc1nc(N2C[C@H](N)C[C@@H](N)C2)nc(N2C[C@H](N)C[C@@H](N)C2)n1.
What is the InChIKey of (3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The InChIKey is FPSUDZDIIPUWEV-ZYUZMQFOSA-N. The full InChI is InChI=1S/C13H27N11/c14-7-1-8(15)4-23(3-7)12-19-11(22-18)20-13(21-12)24-5-9(16)2-10(17)6-24/h7-10H,1-6,14-18H2,(H,19,20,21,22)/t7-,8-,9-,10-/m1/s1.
What are the key properties of (3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
(3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine has a molecular weight of 337.44 g/mol, XLogP of -3.11, 3 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[4-[(3R,5R)-3,5-diaminopiperidin-1-yl]-6-hydrazinyl-1,3,5-triazin-2-yl]piperidine-3,5-diamine is sourced from PubChem (CID 140519096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).