6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine

C11H16ClN7 — CID 106194409

IUPAC6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2ccn[nH]2)n1
InChIInChI=1S/C11H16ClN7/c1-3-19(4-2)11-16-9(12)15-10(17-11)13-7-8-5-6-14-18-8/h5-6H,3-4,7H2,1-2H3,(H,14,18)(H,13,15,16,17)
InChIKeyDHKSMDHTSUCNQV-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.71
Rot. Bonds6

About 6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 106194409) has the molecular formula C11H16ClN7 and a molecular weight of 281.75 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID106194409
Molecular FormulaC11H16ClN7
Molecular Weight281.75 g/mol
Exact Mass281.12
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2ccn[nH]2)n1
InChIInChI=1S/C11H16ClN7/c1-3-19(4-2)11-16-9(12)15-10(17-11)13-7-8-5-6-14-18-8/h5-6H,3-4,7H2,1-2H3,(H,14,18)(H,13,15,16,17)
InChIKeyDHKSMDHTSUCNQV-UHFFFAOYSA-N
XLogP1.71
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106193353
4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106194334
6-chloro-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669
2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol
CID 106196572
6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114701549
6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106194548
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 27378828
6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863713
6-chloro-2-N,2-N-diethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 106194753
6-chloro-4-N-[2-(dimethylamino)-2-methylpropyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 62864491
4-chloro-6-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106194336
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863803

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 106194409) is 6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NCc2ccn[nH]2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DHKSMDHTSUCNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN7/c1-3-19(4-2)11-16-9(12)15-10(17-11)13-7-8-5-6-14-18-8/h5-6H,3-4,7H2,1-2H3,(H,14,18)(H,13,15,16,17).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 281.75 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106194409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).