2-N-iodo-1,3,5-triazine-2,4,6-triamine

C3H5IN6 — CID 23373384

IUPAC2-N-iodo-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NI)n1
InChIInChI=1S/C3H5IN6/c4-10-3-8-1(5)7-2(6)9-3/h(H5,5,6,7,8,9,10)
InChIKeyCWKCPBNQKSQQJV-UHFFFAOYSA-N
MW252.02 g/mol
LogP-0.20
Rot. Bonds1

About 2-N-iodo-1,3,5-triazine-2,4,6-triamine

2-N-iodo-1,3,5-triazine-2,4,6-triamine (PubChem CID 23373384) has the molecular formula C3H5IN6 and a molecular weight of 252.02 g/mol. Its IUPAC name is 2-N-iodo-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-iodo-1,3,5-triazine-2,4,6-triamine
PubChem CID23373384
Molecular FormulaC3H5IN6
Molecular Weight252.02 g/mol
Exact Mass251.96
IUPAC Name2-N-iodo-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NI)n1
InChIInChI=1S/C3H5IN6/c4-10-3-8-1(5)7-2(6)9-3/h(H5,5,6,7,8,9,10)
InChIKeyCWKCPBNQKSQQJV-UHFFFAOYSA-N
XLogP-0.20
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.02
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
1,3,5-triazine-2,4,6-triamine
CID 22011128
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303
CID 161237942
CID 161237942
azane;molybdenum(4+);1,3,5-triazine-2,4,6-triamine
CID 172706405
azane;cobalt;1,3,5-triazine-2,4,6-triamine
CID 172711382
N-(4,6-diamino-1,3,5-triazin-2-yl)formamide
CID 20638897
2-N-(trichloromethyl)-1,3,5-triazine-2,4,6-triamine
CID 141245550
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride
CID 158256516
N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea
CID 159363516
CID 158808778
CID 158808778

Frequently Asked Questions

What is the IUPAC name of 2-N-iodo-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-iodo-1,3,5-triazine-2,4,6-triamine (CID 23373384) is 2-N-iodo-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-iodo-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-iodo-1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(NI)n1.
What is the InChIKey of 2-N-iodo-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CWKCPBNQKSQQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IN6/c4-10-3-8-1(5)7-2(6)9-3/h(H5,5,6,7,8,9,10).
What are the key properties of 2-N-iodo-1,3,5-triazine-2,4,6-triamine?
2-N-iodo-1,3,5-triazine-2,4,6-triamine has a molecular weight of 252.02 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-iodo-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23373384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).