CID 59974246

C7H12N5Y- — CID 59974246

IUPAC—
SMILESCN(C)c1n[c-]nc(N(C)C)n1.[Y]
InChIInChI=1S/C7H12N5.Y/c1-11(2)6-8-5-9-7(10-6)12(3)4;/h1-4H3;/q-1;
InChIKeyFRPQGDQNPZMWBG-UHFFFAOYSA-N
MW255.11 g/mol
LogP-0.20
Rot. Bonds2

About CID 59974246

CID 59974246 (PubChem CID 59974246) has the molecular formula C7H12N5Y- and a molecular weight of 255.11 g/mol.

Molecular Properties

Compound NameCID 59974246
PubChem CID59974246
Molecular FormulaC7H12N5Y-
Molecular Weight255.11 g/mol
Exact Mass255.02
IUPAC Name—
SMILESCN(C)c1n[c-]nc(N(C)C)n1.[Y]
InChIInChI=1S/C7H12N5.Y/c1-11(2)6-8-5-9-7(10-6)12(3)4;/h1-4H3;/q-1;
InChIKeyFRPQGDQNPZMWBG-UHFFFAOYSA-N
XLogP-0.20
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135
CID 59953757
CID 59953757
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 172706081
zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate
CID 110193115
CID 175266137
CID 175266137
2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine
CID 151176957
4,6-difluoro-N,N-dimethylpyrimidin-2-amine
CID 594438
1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 62864855
N,N-dimethyl-4-propan-2-ylpyrimidin-2-amine
CID 10820941
2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55125314
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one
CID 602681

Frequently Asked Questions

What is the IUPAC name of CID 59974246?
The IUPAC name of CID 59974246 (CID 59974246) is not available.
What is the SMILES notation for CID 59974246?
The canonical SMILES for CID 59974246 is CN(C)c1n[c-]nc(N(C)C)n1.[Y].
What is the InChIKey of CID 59974246?
The InChIKey is FRPQGDQNPZMWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N5.Y/c1-11(2)6-8-5-9-7(10-6)12(3)4;/h1-4H3;/q-1;.
What are the key properties of CID 59974246?
CID 59974246 has a molecular weight of 255.11 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59974246 is sourced from PubChem (CID 59974246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).