(5-methyl-1,3,5-triazinan-2-yl)cyanamide

C5H11N5 — CID 22946092

IUPAC(5-methyl-1,3,5-triazinan-2-yl)cyanamide
SMILESCN1CNC(NC#N)NC1
InChIInChI=1S/C5H11N5/c1-10-3-8-5(7-2-6)9-4-10/h5,7-9H,3-4H2,1H3
InChIKeyGELMZMAROYEARQ-UHFFFAOYSA-N
MW141.18 g/mol
LogP-1.62
Rot. Bonds1

About (5-methyl-1,3,5-triazinan-2-yl)cyanamide

(5-methyl-1,3,5-triazinan-2-yl)cyanamide (PubChem CID 22946092) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is (5-methyl-1,3,5-triazinan-2-yl)cyanamide.

Molecular Properties

Compound Name(5-methyl-1,3,5-triazinan-2-yl)cyanamide
PubChem CID22946092
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name(5-methyl-1,3,5-triazinan-2-yl)cyanamide
SMILESCN1CNC(NC#N)NC1
InChIInChI=1S/C5H11N5/c1-10-3-8-5(7-2-6)9-4-10/h5,7-9H,3-4H2,1H3
InChIKeyGELMZMAROYEARQ-UHFFFAOYSA-N
XLogP-1.62
TPSA63.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

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(1,2,2,6,6-pentamethylpiperidin-4-yl)cyanamide
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(2,2,3,3-tetramethylcyclopropyl)cyanamide
CID 79358460
(3R)-1-methylpyrrolidine-3-carbonitrile
CID 67523043
1-methyl-4-propan-2-ylimidazolidine
CID 139454022
1-methyl-1,3-diazetidine
CID 20702282
CID 177173282
CID 177173282
(1-propan-2-ylpyrrolidin-3-yl)cyanamide
CID 130950441
1-methylpiperidine-4-carbonitrile
CID 11789206
1-methylpiperazine;oxalonitrile
CID 174499806
(2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile
CID 98235660
1,4-dimethyl-1,4-diazepane-2-carbonitrile
CID 71757191

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,5-triazinan-2-yl)cyanamide?
The IUPAC name of (5-methyl-1,3,5-triazinan-2-yl)cyanamide (CID 22946092) is (5-methyl-1,3,5-triazinan-2-yl)cyanamide.
What is the SMILES notation for (5-methyl-1,3,5-triazinan-2-yl)cyanamide?
The canonical SMILES for (5-methyl-1,3,5-triazinan-2-yl)cyanamide is CN1CNC(NC#N)NC1.
What is the InChIKey of (5-methyl-1,3,5-triazinan-2-yl)cyanamide?
The InChIKey is GELMZMAROYEARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-10-3-8-5(7-2-6)9-4-10/h5,7-9H,3-4H2,1H3.
What are the key properties of (5-methyl-1,3,5-triazinan-2-yl)cyanamide?
(5-methyl-1,3,5-triazinan-2-yl)cyanamide has a molecular weight of 141.18 g/mol, XLogP of -1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,5-triazinan-2-yl)cyanamide is sourced from PubChem (CID 22946092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).