2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile

C9H15N7 — CID 123592748

IUPAC2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
SMILESCCCNc1nc(NC)nc(NCC#N)n1
InChIInChI=1S/C9H15N7/c1-3-5-12-8-14-7(11-2)15-9(16-8)13-6-4-10/h3,5-6H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyZIUGCNOYMWDSOR-UHFFFAOYSA-N
MW221.27 g/mol
LogP0.67
Rot. Bonds6

About 2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile

2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile (PubChem CID 123592748) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
PubChem CID123592748
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
SMILESCCCNc1nc(NC)nc(NCC#N)n1
InChIInChI=1S/C9H15N7/c1-3-5-12-8-14-7(11-2)15-9(16-8)13-6-4-10/h3,5-6H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyZIUGCNOYMWDSOR-UHFFFAOYSA-N
XLogP0.67
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;ethoxyethane;methanamine;bis(6-N-methyl-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine);dihydrochloride
CID 159712859
2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 118432263
4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 135043247
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate
CID 174669762
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804
azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 91085436
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile?
The IUPAC name of 2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile (CID 123592748) is 2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile?
The canonical SMILES for 2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile is CCCNc1nc(NC)nc(NCC#N)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile?
The InChIKey is ZIUGCNOYMWDSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-3-5-12-8-14-7(11-2)15-9(16-8)13-6-4-10/h3,5-6H2,1-2H3,(H3,11,12,13,14,15,16).
What are the key properties of 2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile?
2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile has a molecular weight of 221.27 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile is sourced from PubChem (CID 123592748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).